A0A093HFN7_STRCA Loading...

Cholesterol 7-alpha-monooxygenase

AlphaFold DB , UniProt , Accession A0A093HFN7, Species STRCA (Struthio camelus australis), Gene n/a, Length 512 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	76.3	Confident	211 Å²	211	114.7 Å²	114.7	100%	1.039	60%	0.595	S	S	*	*				0	-44.9	0	-138.3	161.1	59.8	0	0	112.8
2	F	58.8	Low	77.2	Confident	168 Å²	168	111.9 Å²	111.9	74%	0.737	59%	0.587	S	S	*	*	H	α-helix	trans	-62.9	-44	179	-77.7	-84.4	0	0	0	115.1	A4 S5 W6	F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 2.66Å; F2-S5 WeakPolarHBondContact O-CB 3.44Å; F2-S5 PolarHBondContact O-N 2.67Å; F2-S5 VanDerWaalsContact O-N 3.09Å; F2-W6 VanDerWaalsContact O-CD1 3.28Å; F2-W6 PolarHBondContact O-N 2.89Å
3	V	68.6	Low	78	Confident	108 Å²	108	110.2 Å²	110.2	66%	0.655	58%	0.583	S	S	*	*	H	α-helix	trans	-60.6	-38.1	-177.4	-179.3	0	0	0	0	112.7	S5 W6 I7	V3-S5 VanDerWaalsContact C-N 3.35Å; V3-S5 PolarHBondContact O-N 3.49Å; V3-W6 PolarHBondContact O-N 3.32Å; V3-I7 HydrophobicContact CG1-CD1 3.9Å; V3-I7 HydrophobicContact CG1-CG1 4.47Å; V3-I7 VanDerWaalsContact O-CG1 3.31Å; V3-I7 WeakPolarHBondContact O-CG1 3.46Å; V3-I7 PolarHBondContact O-N 3.07Å
4	A	66.2	Low	78.8	Confident	51 Å²	51	110.1 Å²	110.1	42%	0.421	58%	0.583	S	S	.	*	H	α-helix	trans	-64.2	-39.9	176.5	0	0	0	0	0	111.8	F2 W6 I7 W8	F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 2.66Å; A4-W6 VanDerWaalsContact C-N 3.35Å; A4-W6 PolarHBondContact O-N 3.46Å; A4-I7 PolarHBondContact O-N 3.29Å; A4-W8 PolarHBondContact O-N 2.73Å
5	S	73.6	Confident	79.2	Confident	84 Å²	84	107.9 Å²	107.9	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-66.2	-35.6	177.7	-172.9	0	0	0	0	112.6	F2 V3 G9	F2-S5 WeakPolarHBondContact O-CB 3.44Å; F2-S5 PolarHBondContact O-N 2.67Å; F2-S5 VanDerWaalsContact O-N 3.09Å; V3-S5 VanDerWaalsContact C-N 3.35Å; V3-S5 PolarHBondContact O-N 3.49Å; S5-G9 PolarHBondContact O-N 2.98Å
6	W	82.2	Confident	79.4	Confident	192 Å²	192	105.1 Å²	105.1	73%	0.727	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-42.8	174.4	-79.5	91.7	0	0	0	112.1	F2 V3 A4 W8 G9 T10	F2-W6 VanDerWaalsContact O-CD1 3.28Å; F2-W6 PolarHBondContact O-N 2.89Å; V3-W6 PolarHBondContact O-N 3.32Å; A4-W6 VanDerWaalsContact C-N 3.35Å; A4-W6 PolarHBondContact O-N 3.46Å; W6-W8 PolarHBondContact O-N 3.49Å; W6-G9 PolarHBondContact O-N 3.12Å; W6-T10 PolarHBondContact O-N 3.06Å; W6-T10 PolarHBondContact O-OG1 3.48Å; W6-T10 VanDerWaalsContact O-OG1 3.05Å
7	I	84.5	Confident	79.7	Confident	98 Å²	98	103.1 Å²	103.1	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-59.7	-48.2	175.4	-68	166.7	0	0	0	110.4	V3 A4 G9 T10 V11	V3-I7 HydrophobicContact CG1-CD1 3.9Å; V3-I7 HydrophobicContact CG1-CG1 4.47Å; V3-I7 VanDerWaalsContact O-CG1 3.31Å; V3-I7 WeakPolarHBondContact O-CG1 3.46Å; V3-I7 PolarHBondContact O-N 3.07Å; A4-I7 PolarHBondContact O-N 3.29Å; I7-G9 VanDerWaalsContact C-N 3.35Å; I7-G9 PolarHBondContact O-N 2.85Å; I7-T10 PolarHBondContact O-N 3.05Å; I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 WeakPolarHBondContact O-CB 2.99Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 3.21Å
8	W	85.6	Confident	79.9	Confident	176 Å²	176	105.1 Å²	105.1	67%	0.667	56%	0.563	S	S	*	*	H	α-helix	trans	-62.3	-41.5	176.4	-75.2	116.4	0	0	0	112	A4 W6 V11 T12	A4-W8 PolarHBondContact O-N 2.73Å; W6-W8 PolarHBondContact O-N 3.49Å; W8-V11 PolarHBondContact O-N 3.08Å; W8-T12 WeakPolarHBondContact O-CB 3.44Å; W8-T12 PolarHBondContact O-N 2.98Å; W8-T12 PolarHBondContact O-OG1 3.08Å
9	G	87.5	Confident	79.9	Confident	35 Å²	35	105.8 Å²	105.8	36%	0.361	56%	0.558	S	S	.	*	H	α-helix	trans	-59	-47.8	174.3	0	0	0	0	0	112.7	S5 W6 I7 T12 V13	S5-G9 PolarHBondContact O-N 2.98Å; W6-G9 PolarHBondContact O-N 3.12Å; I7-G9 VanDerWaalsContact C-N 3.35Å; I7-G9 PolarHBondContact O-N 2.85Å; G9-T12 PolarHBondContact O-N 2.81Å; G9-V13 VanDerWaalsContact O-CG2 3.3Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 2.75Å
10	T	86.3	Confident	80	Confident	77 Å²	77	104 Å²	104	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-42.9	177.3	-56.2	0	0	0	0	111.8	W6 I7 V13 L14	W6-T10 PolarHBondContact O-N 3.06Å; W6-T10 PolarHBondContact O-OG1 3.48Å; W6-T10 VanDerWaalsContact O-OG1 3.05Å; I7-T10 PolarHBondContact O-N 3.05Å; T10-V13 PolarHBondContact O-N 3.28Å; T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 HydrophobicContact CG2-CG 4.42Å; T10-L14 WeakPolarHBondContact O-CB 3.27Å; T10-L14 WeakPolarHBondContact O-CG 3.43Å; T10-L14 PolarHBondContact O-N 3.36Å
11	V	89.1	Confident	79.9	Confident	62 Å²	62	105.3 Å²	105.3	38%	0.376	55%	0.552	S	S	.	*	H	α-helix	trans	-62.2	-45.2	176.6	169.8	0	0	0	0	110.8	I7 W8 V13 L14 C15	I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 WeakPolarHBondContact O-CB 2.99Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 3.21Å; W8-V11 PolarHBondContact O-N 3.08Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.43Å; V11-L14 PolarHBondContact O-N 3Å; V11-C15 WeakPolarHBondContact O-CB 3.2Å; V11-C15 PolarHBondContact O-N 2.81Å; V11-C15 PolarHBondContact O-SG 2.92Å
12	T	87	Confident	81	Confident	81 Å²	81	100.4 Å²	100.4	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-45.2	176	-60.8	0	0	0	0	111.3	W8 G9 C15 C16	W8-T12 WeakPolarHBondContact O-CB 3.44Å; W8-T12 PolarHBondContact O-N 2.98Å; W8-T12 PolarHBondContact O-OG1 3.08Å; G9-T12 PolarHBondContact O-N 2.81Å; T12-C15 PolarHBondContact O-N 3.05Å; T12-C16 WeakPolarHBondContact O-CB 3.39Å; T12-C16 PolarHBondContact O-N 3.39Å; T12-C16 PolarHBondContact O-SG 3.03Å
13	V	88.4	Confident	81.8	Confident	89 Å²	89	93.5 Å²	93.5	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-46.2	177.1	171	0	0	0	0	111.2	G9 T10 V11 C15 C16 V17	G9-V13 VanDerWaalsContact O-CG2 3.3Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 2.75Å; T10-V13 PolarHBondContact O-N 3.28Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.43Å; V13-C15 PolarHBondContact O-N 3.36Å; V13-C16 PolarHBondContact O-N 3.32Å; V13-V17 HydrophobicContact CG1-CG2 4.36Å; V13-V17 VanDerWaalsContact O-CG2 3.3Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 2.9Å
14	L	88.4	Confident	82.7	Confident	110 Å²	110	93.2 Å²	93.2	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-42.6	177.7	-72.5	173.2	0	0	0	111.9	T10 V11 V17 F18	T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 HydrophobicContact CG2-CG 4.42Å; T10-L14 WeakPolarHBondContact O-CB 3.27Å; T10-L14 WeakPolarHBondContact O-CG 3.43Å; T10-L14 PolarHBondContact O-N 3.36Å; V11-L14 PolarHBondContact O-N 3Å; L14-V17 PolarHBondContact O-N 2.94Å; L14-F18 VanDerWaalsContact O-CB 3.27Å; L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.45Å
15	C	85.4	Confident	84	Confident	77 Å²	77	92.8 Å²	92.8	52%	0.52	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-42.9	174.6	-73.9	0	0	0	0	111.8	V11 T12 V13 F18 W19	V11-C15 WeakPolarHBondContact O-CB 3.2Å; V11-C15 PolarHBondContact O-N 2.81Å; V11-C15 PolarHBondContact O-SG 2.92Å; T12-C15 PolarHBondContact O-N 3.05Å; V13-C15 PolarHBondContact O-N 3.36Å; C15-F18 PolarHBondContact O-N 3.28Å; C15-W19 WeakPolarHBondContact O-CB 3.34Å; C15-W19 PolarHBondContact O-N 2.78Å
16	C	82.5	Confident	84.9	Confident	63 Å²	63	97.4 Å²	97.4	43%	0.426	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-47.3	174.9	-72.1	0	0	0	0	111.3	T12 V13 F18 W19 F20	T12-C16 WeakPolarHBondContact O-CB 3.39Å; T12-C16 PolarHBondContact O-N 3.39Å; T12-C16 PolarHBondContact O-SG 3.03Å; V13-C16 PolarHBondContact O-N 3.32Å; C16-F18 PolarHBondContact O-N 2.82Å; C16-W19 PolarHBondContact O-N 2.74Å; C16-F20 VanDerWaalsContact O-CD2 3.29Å; C16-F20 WeakPolarHBondContact O-CD2 3.41Å; C16-F20 PolarHBondContact O-N 3.04Å
17	V	83.9	Confident	85.6	Confident	71 Å²	71	94.8 Å²	94.8	43%	0.43	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-46	177.9	171.1	0	0	0	0	110.9	V13 L14 W19 F20 L21	V13-V17 HydrophobicContact CG1-CG2 4.36Å; V13-V17 VanDerWaalsContact O-CG2 3.3Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 2.9Å; L14-V17 PolarHBondContact O-N 2.94Å; V17-W19 VanDerWaalsContact C-N 3.34Å; V17-W19 PolarHBondContact O-N 3.5Å; V17-F20 PolarHBondContact O-N 2.84Å; V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.3Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.4Å
18	F	84.3	Confident	86.2	Confident	138 Å²	138	96.8 Å²	96.8	61%	0.605	48%	0.48	S	S	*	.	H	α-helix	trans	-60.9	-43.6	177	-168.8	-100.9	0	0	0	111.6	L14 C15 C16 F20 L21 I22	L14-F18 VanDerWaalsContact O-CB 3.27Å; L14-F18 WeakPolarHBondContact O-CB 3.35Å; L14-F18 PolarHBondContact O-N 3.45Å; C15-F18 PolarHBondContact O-N 3.28Å; C16-F18 PolarHBondContact O-N 2.82Å; F18-F20 VanDerWaalsContact C-N 3.35Å; F18-F20 PolarHBondContact O-N 3.4Å; F18-L21 PolarHBondContact O-N 3.3Å; F18-I22 HydrophobicContact CD1-CD1 3.73Å; F18-I22 HydrophobicContact CD2-CD1 3.58Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE2-CD1 3.15Å; F18-I22 HydrophobicContact CG-CD1 3.87Å; F18-I22 HydrophobicContact CZ-CD1 3.01Å; F18-I22 HydrophobicContact CZ-CG1 4.5Å; F18-I22 WeakPolarHBondContact O-CB 3.14Å; F18-I22 PolarHBondContact O-N 2.86Å
19	W	79.9	Confident	86.7	Confident	120 Å²	120	99.9 Å²	99.9	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-38.6	174.7	-177.6	74.7	0	0	0	112.7	C15 C16 V17 G23 P40	C15-W19 WeakPolarHBondContact O-CB 3.34Å; C15-W19 PolarHBondContact O-N 2.78Å; C16-W19 PolarHBondContact O-N 2.74Å; V17-W19 VanDerWaalsContact C-N 3.34Å; V17-W19 PolarHBondContact O-N 3.5Å; W19-G23 VanDerWaalsContact O-CA 3.25Å; W19-G23 WeakPolarHBondContact O-CA 3.33Å; W19-G23 PolarHBondContact O-N 2.82Å; W19-P40 HydrophobicContact CD2-CB 4.09Å; W19-P40 HydrophobicContact CD2-CG 4.06Å; W19-P40 HydrophobicContact CE3-CB 4.14Å; W19-P40 HydrophobicContact CE3-CG 3.65Å; W19-P40 HydrophobicContact CH2-CB 3.95Å; W19-P40 HydrophobicContact CH2-CG 3.94Å; W19-P40 HydrophobicContact CZ2-CB 3.87Å; W19-P40 HydrophobicContact CZ2-CG 4.31Å; W19-P40 HydrophobicContact CZ3-CB 4.08Å; W19-P40 VanDerWaalsContact CZ3-CD 3.43Å; W19-P40 HydrophobicContact CZ3-CG 3.59Å
20	F	81.8	Confident	87.2	Confident	68 Å²	68	99.6 Å²	99.6	30%	0.298	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-38.2	174.7	-93.9	-83.9	0	0	0	113.3	C16 V17 F18 L39 P40	C16-F20 VanDerWaalsContact O-CD2 3.29Å; C16-F20 WeakPolarHBondContact O-CD2 3.41Å; C16-F20 PolarHBondContact O-N 3.04Å; V17-F20 PolarHBondContact O-N 2.84Å; F18-F20 VanDerWaalsContact C-N 3.35Å; F18-F20 PolarHBondContact O-N 3.4Å; F20-L39 HydrophobicContact CZ-CD2 4.27Å; F20-P40 HydrophobicContact CB-CG 4.37Å; F20-P40 HydrophobicContact CD1-CG 3.56Å; F20-P40 HydrophobicContact CD2-CG 4.39Å; F20-P40 VanDerWaalsContact CE1-CD 3.41Å; F20-P40 HydrophobicContact CE1-CG 3.88Å; F20-P40 HydrophobicContact CG-CG 3.85Å; F20-P40 HydrophobicContact CZ-CG 4.4Å
21	L	76.9	Confident	87.7	Confident	132 Å²	132	96.5 Å²	96.5	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-75.6	-39.1	-178.6	-70.4	173.7	0	0	0	112.6	V17 F18	V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.3Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.4Å; F18-L21 PolarHBondContact O-N 3.3Å
22	I	79.1	Confident	88.2	Confident	108 Å²	108	93.6 Å²	93.6	55%	0.554	45%	0.451	S	S	*	.	H	α-helix	trans	-96.8	-26.5	-175	-68.8	165.2	0	0	0	112.4	F18 R24	F18-I22 HydrophobicContact CD1-CD1 3.73Å; F18-I22 HydrophobicContact CD2-CD1 3.58Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE2-CD1 3.15Å; F18-I22 HydrophobicContact CG-CD1 3.87Å; F18-I22 HydrophobicContact CZ-CD1 3.01Å; F18-I22 HydrophobicContact CZ-CG1 4.5Å; F18-I22 WeakPolarHBondContact O-CB 3.14Å; F18-I22 PolarHBondContact O-N 2.86Å; I22-R24 PolarHBondContact O-N 3.04Å; I22-R24 VanDerWaalsContact O-N 3.11Å
23	G	77.3	Confident	88.7	Confident	24 Å²	24	90.7 Å²	90.7	25%	0.247	43%	0.434	C	S	.	.	S	Bend	trans	-68.8	-8.5	-179.2	0	0	0	0	0	114.4	W19	W19-G23 VanDerWaalsContact O-CA 3.25Å; W19-G23 WeakPolarHBondContact O-CA 3.33Å; W19-G23 PolarHBondContact O-N 2.82Å
24	R	86.9	Confident	89.1	Confident	101 Å²	101	88 Å²	88	38%	0.381	42%	0.417	S	S	.	.	S	Bend	trans	-100.9	127.1	179.4	-71.2	-176.9	164.8	173.1	0.6	111.7	I22 N36 G37 F38	I22-R24 PolarHBondContact O-N 3.04Å; I22-R24 VanDerWaalsContact O-N 3.11Å; R24-N36 HydrophobicContact CG-CB 4.25Å; R24-G37 PolarHBondContact NH2-O 3.24Å; R24-F38 PolarHBondContact NH2-O 3.11Å
25	R	92.6	Very high	89.5	Confident	43 Å²	43	84.2 Å²	84.2	16%	0.162	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-73.4	140.1	174.7	175	-178	-76.4	-171.5	-2.1	110.3	L34 N36 Y75 D393	R25-L34 HydrophobicContact CB-CD2 3.98Å; R25-L34 HydrophobicContact CG-CD2 3.85Å; R25-L34 WeakPolarHBondContact O-CD2 3.23Å; R25-N36 PolarHBondContact N-OD1 3.38Å; R25-N36 PolarHBondContact O-ND2 3.42Å; R25-Y75 HydrophobicContact CB-CE1 3.57Å; R25-Y75 HydrophobicContact CB-CE2 4.06Å; R25-Y75 WeakPolarHBondContact CB-OH 3.47Å; R25-Y75 HydrophobicContact CG-CE1 4.29Å; R25-Y75 VanDerWaalsContact CZ-CG 3.41Å; R25-Y75 PolarHBondContact N-OH 3.48Å; R25-D393 IonicContact CZ-OD1 2.84Å; R25-D393 VanDerWaalsContact CZ-OD1 3.28Å; R25-D393 IonicContact CZ-OD2 3.6Å; R25-D393 IonicContact NH1-OD1 2.74Å; R25-D393 PolarHBondContact NH1-OD1 2.79Å; R25-D393 IonicContact NH1-OD2 2.81Å; R25-D393 PolarHBondContact NH1-OD2 3.23Å; R25-D393 IonicContact NH2-OD1 3.71Å; R25-D393 PolarHBondContact NH2-OD1 3.4Å; R25-D393 IonicContact NH2-OD2 3.61Å
26	K	93.8	Very high	89.8	Confident	181 Å²	181	82.1 Å²	82.1	79%	0.787	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-94	134.7	166.3	-64.7	-177.8	-179.1	179	0	109.5	R390	K26-R390 PolarHBondContact O-NH2 3.15Å
27	R	96.8	Very high	90.2	Very high	136 Å²	136	80.2 Å²	80.2	51%	0.513	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-66.9	129.8	174.6	-175.9	-176.3	174.7	-164.8	1.2	109.6	E31 P32 L34	R27-E31 WeakPolarHBondContact CA-OE2 3.21Å; R27-E31 HydrophobicContact CG-CB 4.05Å; R27-E31 PolarHBondContact NE-O 2.92Å; R27-E31 PolarHBondContact NH2-O 3.21Å; R27-P32 WeakPolarHBondContact CD-O 3.34Å; R27-P32 PolarHBondContact NE-O 2.74Å; R27-P32 VanDerWaalsContact NE-O 3.12Å; R27-L34 HydrophobicContact CB-CB 4.13Å; R27-L34 HydrophobicContact CB-CD2 4.38Å
28	R	97.3	Very high	90.3	Very high	140 Å²	140	83.7 Å²	83.7	53%	0.528	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-92.1	164.6	172.3	-61.5	168.7	-178.6	168.9	-2.9	110.3	G30 E31	R28-G30 PolarHBondContact O-N 3.49Å; R28-E31 HydrophobicContact CB-CG 4.06Å; R28-E31 WeakPolarHBondContact CB-OE1 3.48Å; R28-E31 WeakPolarHBondContact CD-OE1 3.47Å; R28-E31 PolarHBondContact N-OE2 2.75Å; R28-E31 WeakPolarHBondContact O-CB 3.38Å; R28-E31 PolarHBondContact O-N 3.06Å
29	R	96.6	Very high	90.3	Very high	241 Å²	241	79.9 Å²	79.9	91%	0.909	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	133.4	175.7	-173	178.4	179.6	-177.2	-0.1	110.1	E31 N388	R29-E31 VanDerWaalsContact C-N 3.3Å; R29-E31 PolarHBondContact O-N 2.85Å; R29-N388 PolarHBondContact O-ND2 3.11Å; R29-N388 VanDerWaalsContact O-ND2 3.1Å
30	G	96.4	Very high	90.4	Very high	29 Å²	29	74.3 Å²	74.3	30%	0.299	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-6.4	179.8	0	0	0	0	0	115.2	R28 Y387 N388	R28-G30 PolarHBondContact O-N 3.49Å; G30-Y387 CarbonylContact O-C 3.51Å; G30-Y387 VanDerWaalsContact O-CA 3.3Å; G30-Y387 WeakPolarHBondContact O-CA 3.5Å; G30-N388 PolarHBondContact O-N 2.86Å
31	E	98.3	Very high	90.5	Very high	13 Å²	13	77.2 Å²	77.2	6%	0.061	36%	0.355	C	S	.	.	S	Bend	trans	-78.8	156.1	173.9	-63.2	-178.7	169.6	0	0	111.3	R27 R28 R29 N388 R390	R27-E31 WeakPolarHBondContact CA-OE2 3.21Å; R27-E31 HydrophobicContact CG-CB 4.05Å; R27-E31 PolarHBondContact NE-O 2.92Å; R27-E31 PolarHBondContact NH2-O 3.21Å; R28-E31 HydrophobicContact CB-CG 4.06Å; R28-E31 WeakPolarHBondContact CB-OE1 3.48Å; R28-E31 WeakPolarHBondContact CD-OE1 3.47Å; R28-E31 PolarHBondContact N-OE2 2.75Å; R28-E31 WeakPolarHBondContact O-CB 3.38Å; R28-E31 PolarHBondContact O-N 3.06Å; R29-E31 VanDerWaalsContact C-N 3.3Å; R29-E31 PolarHBondContact O-N 2.85Å; E31-N388 HydrophobicContact CG-CB 4.13Å; E31-R390 VanDerWaalsContact CD-NH2 3.27Å; E31-R390 IonicContact OE1-CZ 3.23Å; E31-R390 IonicContact OE1-NE 2.63Å; E31-R390 PolarHBondContact OE1-NE 3.41Å; E31-R390 IonicContact OE1-NH2 3.13Å; E31-R390 PolarHBondContact OE1-NH2 2.73Å; E31-R390 IonicContact OE2-CZ 3.67Å; E31-R390 IonicContact OE2-NE 3.07Å; E31-R390 IonicContact OE2-NH2 3.48Å; E31-R390 PolarHBondContact OE2-NH2 2.99Å
32	P	98	Very high	91	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60.5	158.9	172.8	-18.8	30.9	0	0	0	112.1	R27 L34 I66 Y387 I389	R27-P32 WeakPolarHBondContact CD-O 3.34Å; R27-P32 PolarHBondContact NE-O 2.74Å; R27-P32 VanDerWaalsContact NE-O 3.12Å; P32-L34 PolarHBondContact O-N 3.18Å; P32-I66 HydrophobicContact CB-CG1 4.12Å; P32-I66 HydrophobicContact CG-CD1 3.97Å; P32-I66 HydrophobicContact CG-CG1 4.02Å; P32-Y387 HydrophobicContact CB-CD1 4.07Å; P32-Y387 HydrophobicContact CB-CE1 4.48Å; P32-Y387 HydrophobicContact CG-CD1 3.79Å; P32-Y387 HydrophobicContact CG-CG 4Å; P32-I389 HydrophobicContact CG-CD1 4.3Å
33	P	98.1	Very high	91.5	Very high	20 Å²	20	69.1 Å²	69.1	13%	0.13	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-49	138.2	169.4	-26.8	36.1	0	0	0	111.6	H63 I66 T68	P33-H63 HydrophobicContact CB-CB 3.93Å; P33-H63 WeakPolarHBondContact CB-ND1 3.48Å; P33-H63 HydrophobicContact CG-CB 4.06Å; P33-I66 WeakPolarHBondContact CD-O 3.26Å; P33-T68 PolarHBondContact O-N 3.02Å
34	L	97.5	Very high	92.2	Very high	34 Å²	34	68.2 Å²	68.2	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.7	-171.3	175.9	64.1	0	0	0	111.7	R25 R27 P32 T68 Y75	R25-L34 HydrophobicContact CB-CD2 3.98Å; R25-L34 HydrophobicContact CG-CD2 3.85Å; R25-L34 WeakPolarHBondContact O-CD2 3.23Å; R27-L34 HydrophobicContact CB-CB 4.13Å; R27-L34 HydrophobicContact CB-CD2 4.38Å; P32-L34 PolarHBondContact O-N 3.18Å; L34-T68 CarbonylContact C-O 3.56Å; L34-T68 HydrophobicContact CD1-CG2 3.72Å; L34-Y75 HydrophobicContact CD1-CD1 3.93Å; L34-Y75 HydrophobicContact CD1-CE1 4Å
35	E	96	Very high	92.3	Very high	30 Å²	30	64.3 Å²	64.3	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	96.8	174.1	-70.7	-78.1	-159.2	0	0	109.3	G37 K59 K62 H63 T68 C69 R70	E35-G37 VanDerWaalsContact C-N 3.27Å; E35-G37 PolarHBondContact O-N 2.97Å; E35-K59 VanDerWaalsContact CD-NZ 3.34Å; E35-K59 HydrophobicContact CG-CD 4.2Å; E35-K59 IonicContact OE1-NZ 3.3Å; E35-K59 PolarHBondContact OE1-NZ 3.36Å; E35-K59 IonicContact OE2-NZ 3.44Å; E35-K62 IonicContact OE1-NZ 3.56Å; E35-K62 PolarHBondContact OE1-NZ 3.4Å; E35-H63 WeakPolarHBondContact CG-NE2 3.2Å; E35-H63 IonicContact OE1-CD2 3.52Å; E35-H63 IonicContact OE1-CE1 2.73Å; E35-H63 IonicContact OE1-NE2 2.82Å; E35-H63 PolarHBondContact OE1-NE2 2.66Å; E35-T68 PolarHBondContact N-O 3.14Å; E35-C69 WeakPolarHBondContact O-CA 3.27Å; E35-R70 PolarHBondContact O-N 2.97Å
36	N	92.6	Very high	92.2	Very high	33 Å²	33	67.8 Å²	67.8	18%	0.176	31%	0.314	C	S	.	.			trans	-72.3	-20.6	177.3	-76.7	-57.4	0	0	0	113	R24 R25 G43	R24-N36 HydrophobicContact CG-CB 4.25Å; R25-N36 PolarHBondContact N-OD1 3.38Å; R25-N36 PolarHBondContact O-ND2 3.42Å; N36-G43 WeakPolarHBondContact O-CA 3.24Å
37	G	90.4	Very high	92	Very high	22 Å²	22	63.6 Å²	63.6	23%	0.227	30%	0.297	C	S	.	.			trans	69.4	-178.4	-169.5	0	0	0	0	0	113.6	R24 E35	R24-G37 PolarHBondContact NH2-O 3.24Å; E35-G37 VanDerWaalsContact C-N 3.27Å; E35-G37 PolarHBondContact O-N 2.97Å
38	F	85.4	Confident	91.8	Very high	145 Å²	145	58.3 Å²	58.3	64%	0.636	28%	0.278	S	S	*	.	S	Bend	trans	-77.6	-50.3	-174.8	-176.1	-108	0	0	0	112.1	R24	R24-F38 PolarHBondContact NH2-O 3.11Å
39	L	85.3	Confident	91.3	Very high	57 Å²	57	53.7 Å²	53.7	30%	0.298	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-89	128.3	-177.6	-65.2	174.6	0	0	0	111	F20 Y41 L42 G43	F20-L39 HydrophobicContact CZ-CD2 4.27Å; L39-Y41 PolarHBondContact O-N 3.44Å; L39-L42 HydrophobicContact CB-CB 4.17Å; L39-L42 HydrophobicContact CD1-CD1 3.79Å; L39-G43 WeakPolarHBondContact O-CA 3.18Å; L39-G43 PolarHBondContact O-N 2.95Å
40	P	81.8	Confident	91	Very high	4 Å²	4	46 Å²	46	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.3	-172.8	-30.2	33.2	0	0	0	116.5	W19 F20	W19-P40 HydrophobicContact CD2-CB 4.09Å; W19-P40 HydrophobicContact CD2-CG 4.06Å; W19-P40 HydrophobicContact CE3-CB 4.14Å; W19-P40 HydrophobicContact CE3-CG 3.65Å; W19-P40 HydrophobicContact CH2-CB 3.95Å; W19-P40 HydrophobicContact CH2-CG 3.94Å; W19-P40 HydrophobicContact CZ2-CB 3.87Å; W19-P40 HydrophobicContact CZ2-CG 4.31Å; W19-P40 HydrophobicContact CZ3-CB 4.08Å; W19-P40 VanDerWaalsContact CZ3-CD 3.43Å; W19-P40 HydrophobicContact CZ3-CG 3.59Å; F20-P40 HydrophobicContact CB-CG 4.37Å; F20-P40 HydrophobicContact CD1-CG 3.56Å; F20-P40 HydrophobicContact CD2-CG 4.39Å; F20-P40 VanDerWaalsContact CE1-CD 3.41Å; F20-P40 HydrophobicContact CE1-CG 3.88Å; F20-P40 HydrophobicContact CG-CG 3.85Å; F20-P40 HydrophobicContact CZ-CG 4.4Å
41	Y	84.1	Confident	90.7	Very high	129 Å²	129	48 Å²	48	51%	0.506	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-53.9	178.8	-179.8	-93.3	0	0	0	113	L39 G43 G73	L39-Y41 PolarHBondContact O-N 3.44Å; Y41-G43 VanDerWaalsContact C-N 3.25Å; Y41-G43 PolarHBondContact O-N 3.36Å; Y41-G73 PolarHBondContact O-N 2.99Å
42	L	85.9	Confident	90.5	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.346	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.1	-178.3	-68.3	177.6	0	0	0	111.8	L39 C44 A45 A72	L39-L42 HydrophobicContact CB-CB 4.17Å; L39-L42 HydrophobicContact CD1-CD1 3.79Å; L42-C44 PolarHBondContact O-N 2.8Å; L42-A45 HydrophobicContact CB-CB 4.4Å; L42-A45 WeakPolarHBondContact O-CB 3.46Å; L42-A45 PolarHBondContact O-N 3.24Å; L42-A72 PolarHBondContact O-N 3.35Å; L42-A72 VanDerWaalsContact O-N 3.12Å
43	G	90.5	Very high	90.3	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	57.7	-115.1	-176.5	0	0	0	0	0	111.8	N36 L39 Y41 R70	N36-G43 WeakPolarHBondContact O-CA 3.24Å; L39-G43 WeakPolarHBondContact O-CA 3.18Å; L39-G43 PolarHBondContact O-N 2.95Å; Y41-G43 VanDerWaalsContact C-N 3.25Å; Y41-G43 PolarHBondContact O-N 3.36Å; G43-R70 CarbonylContact C-O 3.53Å; G43-R70 WeakPolarHBondContact CA-O 3.3Å
44	C	92.3	Very high	90.2	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.027	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	6.1	177.9	-57	0	0	0	0	113.2	L42 L46 Q47 F48 F55 R70	L42-C44 PolarHBondContact O-N 2.8Å; C44-L46 VanDerWaalsContact C-N 3.29Å; C44-L46 PolarHBondContact O-N 2.65Å; C44-Q47 VanDerWaalsContact C-OE1 3.32Å; C44-Q47 VanDerWaalsContact CA-OE1 3.26Å; C44-Q47 PolarHBondContact O-N 3.04Å; C44-Q47 PolarHBondContact O-OE1 3.11Å; C44-F48 VanDerWaalsContact O-CB 3.29Å; C44-F48 WeakPolarHBondContact O-CB 3.39Å; C44-F48 PolarHBondContact O-N 3.03Å; C44-F55 HydrophobicContact CB-CE2 3.95Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; C44-R70 PolarHBondContact N-O 3.07Å
45	A	89.8	Confident	90.1	Very high	20 Å²	20	49.4 Å²	49.4	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-36.9	-170.8	0	0	0	0	0	114.1	L42 G49 V71 A72	L42-A45 HydrophobicContact CB-CB 4.4Å; L42-A45 WeakPolarHBondContact O-CB 3.46Å; L42-A45 PolarHBondContact O-N 3.24Å; A45-G49 PolarHBondContact O-N 3.23Å; A45-V71 HydrophobicContact CB-CG1 4.13Å; A45-A72 HydrophobicContact CB-CB 4.3Å
46	L	88.7	Confident	90.2	Very high	116 Å²	116	48 Å²	48	61%	0.607	26%	0.264	S	S	*	.	H	α-helix	trans	-70.2	-44.5	178.8	-63.9	177	0	0	0	111.6	C44 G49 A50	C44-L46 VanDerWaalsContact C-N 3.29Å; C44-L46 PolarHBondContact O-N 2.65Å; L46-G49 PolarHBondContact O-N 3.17Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.24Å
47	Q	91.1	Very high	90.4	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-66.3	-43.5	177.1	-61.4	87	-6.9	0	0	111.2	C44 A50 N51 F55	C44-Q47 VanDerWaalsContact C-OE1 3.32Å; C44-Q47 VanDerWaalsContact CA-OE1 3.26Å; C44-Q47 PolarHBondContact O-N 3.04Å; C44-Q47 PolarHBondContact O-OE1 3.11Å; Q47-A50 PolarHBondContact O-N 3.49Å; Q47-N51 PolarHBondContact O-N 3.41Å; Q47-F55 HydrophobicContact CB-CD2 3.71Å; Q47-F55 HydrophobicContact CB-CE2 3.92Å
48	F	91.5	Very high	90.7	Very high	26 Å²	26	54 Å²	54	11%	0.114	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-44.3	176.6	-179.7	-102.3	0	0	0	111.4	C44 A50 P52 F55 L56 V71 F78 M369	C44-F48 VanDerWaalsContact O-CB 3.29Å; C44-F48 WeakPolarHBondContact O-CB 3.39Å; C44-F48 PolarHBondContact O-N 3.03Å; F48-A50 PolarHBondContact O-N 3.07Å; F48-P52 HydrophobicContact CD2-CB 4.2Å; F48-P52 HydrophobicContact CE2-CB 3.87Å; F48-P52 HydrophobicContact CZ-CB 4.06Å; F48-P52 WeakPolarHBondContact O-CA 3.49Å; F48-P52 WeakPolarHBondContact O-CB 3.43Å; F48-P52 WeakPolarHBondContact O-CD 3.5Å; F48-P52 WeakPolarHBondContact O-CG 3.31Å; F48-P52 VanDerWaalsContact O-N 3.08Å; F48-F55 HydrophobicContact CB-CD1 4.2Å; F48-F55 HydrophobicContact CB-CE1 4.26Å; F48-F55 AromaticContact CD2-CD1 3.67Å; F48-F55 HydrophobicContact CD2-CD1 3.67Å; F48-F55 AromaticContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CG-CD1 4.45Å; F48-L56 HydrophobicContact CD2-CG 4.49Å; F48-L56 HydrophobicContact CE2-CD1 4.03Å; F48-L56 HydrophobicContact CE2-CD2 4.26Å; F48-L56 HydrophobicContact CE2-CG 4.1Å; F48-V71 HydrophobicContact CD1-CG1 4.31Å; F48-F78 HydrophobicContact CD2-CZ 4.35Å; F48-F78 HydrophobicContact CE2-CE1 4.06Å; F48-F78 AromaticContact CE2-CZ 3.77Å; F48-F78 HydrophobicContact CE2-CZ 3.77Å; F48-F78 HydrophobicContact CZ-CE1 4.4Å; F48-F78 HydrophobicContact CZ-CZ 4.16Å; F48-M369 HydrophobicContact CE1-SD 4.41Å; F48-M369 HydrophobicContact CZ-CE 4.47Å; F48-M369 HydrophobicContact CZ-SD 3.8Å
49	G	87.7	Confident	91.2	Very high	43 Å²	43	48.6 Å²	48.6	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-70.6	-27.5	179.9	0	0	0	0	0	114.3	A45 L46	A45-G49 PolarHBondContact O-N 3.23Å; L46-G49 PolarHBondContact O-N 3.17Å
50	A	89.1	Confident	91.8	Very high	80 Å²	80	47.9 Å²	47.9	66%	0.661	25%	0.253	S	S	*	.	H	α-helix	trans	-72.9	-44.8	-179.4	0	0	0	0	0	113	L46 Q47 F48	L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.24Å; Q47-A50 PolarHBondContact O-N 3.49Å; F48-A50 PolarHBondContact O-N 3.07Å
51	N	90.5	Very high	92.5	Very high	69 Å²	69	56.2 Å²	56.2	37%	0.369	29%	0.289	S	S	.	.			trans	-152.7	85.5	174	-170.8	-24.8	0	0	0	109.7	Q47 L53 E54 F55	Q47-N51 PolarHBondContact O-N 3.41Å; N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 3.38Å; N51-E54 HydrophobicContact CB-CB 4.43Å; N51-E54 WeakPolarHBondContact ND2-CG 3.49Å; N51-E54 PolarHBondContact O-N 2.91Å; N51-E54 PolarHBondContact OD1-N 3.48Å; N51-E54 VanDerWaalsContact OD1-N 3.12Å; N51-F55 WeakPolarHBondContact O-CB 3.47Å; N51-F55 PolarHBondContact O-N 3.02Å
52	P	94.2	Very high	93.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-40.3	-173.9	-15.5	19.3	0	0	0	112.9	F48 L56 A492	F48-P52 HydrophobicContact CD2-CB 4.2Å; F48-P52 HydrophobicContact CE2-CB 3.87Å; F48-P52 HydrophobicContact CZ-CB 4.06Å; F48-P52 WeakPolarHBondContact O-CA 3.49Å; F48-P52 WeakPolarHBondContact O-CB 3.43Å; F48-P52 WeakPolarHBondContact O-CD 3.5Å; F48-P52 WeakPolarHBondContact O-CG 3.31Å; F48-P52 VanDerWaalsContact O-N 3.08Å; P52-L56 WeakPolarHBondContact O-CB 3.48Å; P52-L56 VanDerWaalsContact O-CG 3.22Å; P52-L56 WeakPolarHBondContact O-CG 3.46Å; P52-L56 PolarHBondContact O-N 3.49Å; P52-A492 HydrophobicContact CB-CB 4.15Å; P52-A492 HydrophobicContact CG-CB 3.4Å
53	L	94.1	Very high	93.7	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-52.9	-178	-179.8	64.7	0	0	0	111.7	N51 L56 R57 Y398 Q400 L401 F404	N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 3.38Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-R57 WeakPolarHBondContact O-CG 3.48Å; L53-R57 PolarHBondContact O-N 3.27Å; L53-Y398 HydrophobicContact CB-CE1 4.31Å; L53-Y398 HydrophobicContact CD1-CE1 4.19Å; L53-Q400 HydrophobicContact CD1-CG 4.29Å; L53-L401 HydrophobicContact CD1-CD2 3.74Å; L53-L401 HydrophobicContact CD1-CG 4.25Å; L53-F404 HydrophobicContact CD2-CD2 3.61Å; L53-F404 HydrophobicContact CD2-CE2 3.96Å
54	E	95.1	Very high	94	Very high	72 Å²	72	56.9 Å²	56.9	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-40.4	179	-72.4	-55.4	130.7	0	0	111.5	N51 L56 R57 E58	N51-E54 HydrophobicContact CB-CB 4.43Å; N51-E54 WeakPolarHBondContact ND2-CG 3.49Å; N51-E54 PolarHBondContact O-N 2.91Å; N51-E54 PolarHBondContact OD1-N 3.48Å; N51-E54 VanDerWaalsContact OD1-N 3.12Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 3.48Å; E54-R57 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact OE1-CD 3.31Å; E54-R57 IonicContact OE1-CZ 3.28Å; E54-R57 IonicContact OE1-NH1 2.66Å; E54-R57 PolarHBondContact OE1-NH1 3.15Å; E54-E58 WeakPolarHBondContact O-CG 3.34Å; E54-E58 PolarHBondContact O-N 2.98Å
55	F	96.3	Very high	94.2	Very high	14 Å²	14	60.1 Å²	60.1	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-54.7	-48.1	173.6	171.3	-91.9	0	0	0	111.5	C44 Q47 F48 N51 E58 K59	C44-F55 HydrophobicContact CB-CE2 3.95Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; Q47-F55 HydrophobicContact CB-CD2 3.71Å; Q47-F55 HydrophobicContact CB-CE2 3.92Å; F48-F55 HydrophobicContact CB-CD1 4.2Å; F48-F55 HydrophobicContact CB-CE1 4.26Å; F48-F55 AromaticContact CD2-CD1 3.67Å; F48-F55 HydrophobicContact CD2-CD1 3.67Å; F48-F55 AromaticContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CG-CD1 4.45Å; N51-F55 WeakPolarHBondContact O-CB 3.47Å; N51-F55 PolarHBondContact O-N 3.02Å; F55-E58 PolarHBondContact O-N 3.49Å; F55-K59 HydrophobicContact CD1-CG 4.38Å; F55-K59 HydrophobicContact CE1-CG 3.96Å; F55-K59 HydrophobicContact CE2-CD 4.47Å; F55-K59 VanDerWaalsContact CE2-CE 3.46Å; F55-K59 HydrophobicContact CE2-CG 4.22Å; F55-K59 HydrophobicContact CZ-CD 4.43Å; F55-K59 HydrophobicContact CZ-CG 3.88Å; F55-K59 WeakPolarHBondContact O-CG 3.46Å; F55-K59 PolarHBondContact O-N 3.09Å
56	L	97.1	Very high	94.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-36	-179.8	-69.8	175.7	0	0	0	112.5	F48 P52 L53 E54 K59 Q60 F67 F78 Y398 L401	F48-L56 HydrophobicContact CD2-CG 4.49Å; F48-L56 HydrophobicContact CE2-CD1 4.03Å; F48-L56 HydrophobicContact CE2-CD2 4.26Å; F48-L56 HydrophobicContact CE2-CG 4.1Å; P52-L56 WeakPolarHBondContact O-CB 3.48Å; P52-L56 VanDerWaalsContact O-CG 3.22Å; P52-L56 WeakPolarHBondContact O-CG 3.46Å; P52-L56 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 3.4Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 3.48Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-Q60 VanDerWaalsContact O-CB 3.27Å; L56-Q60 WeakPolarHBondContact O-CB 3.43Å; L56-Q60 PolarHBondContact O-N 2.95Å; L56-F67 HydrophobicContact CD2-CE2 3.84Å; L56-F67 HydrophobicContact CD2-CZ 3.81Å; L56-F78 HydrophobicContact CD1-CD1 4.06Å; L56-F78 HydrophobicContact CD1-CE1 3.96Å; L56-F78 HydrophobicContact CD2-CB 4.31Å; L56-F78 HydrophobicContact CD2-CD1 3.54Å; L56-F78 HydrophobicContact CD2-CD2 3.9Å; L56-F78 HydrophobicContact CD2-CE1 3.66Å; L56-F78 HydrophobicContact CD2-CE2 4.04Å; L56-F78 HydrophobicContact CD2-CG 3.64Å; L56-F78 HydrophobicContact CD2-CZ 3.93Å; L56-F78 HydrophobicContact CG-CD1 4.47Å; L56-F78 HydrophobicContact CG-CE1 4.44Å; L56-Y398 HydrophobicContact CD1-CD1 3.38Å; L56-Y398 HydrophobicContact CD1-CD2 4.47Å; L56-Y398 HydrophobicContact CD1-CE1 4.11Å; L56-Y398 HydrophobicContact CD1-CG 3.57Å; L56-L401 HydrophobicContact CB-CD1 4.09Å; L56-L401 HydrophobicContact CB-CD2 4.38Å; L56-L401 HydrophobicContact CD1-CD1 4.4Å
57	R	96.5	Very high	95	Very high	62 Å²	62	53.7 Å²	53.7	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-44.5	172.7	-76.2	173.8	169.5	168.5	-3.9	111.7	L53 E54 Q60 K61 L401	L53-R57 WeakPolarHBondContact O-CG 3.48Å; L53-R57 PolarHBondContact O-N 3.27Å; E54-R57 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact OE1-CD 3.31Å; E54-R57 IonicContact OE1-CZ 3.28Å; E54-R57 IonicContact OE1-NH1 2.66Å; E54-R57 PolarHBondContact OE1-NH1 3.15Å; R57-Q60 PolarHBondContact O-N 3.37Å; R57-K61 WeakPolarHBondContact O-CG 3.27Å; R57-K61 PolarHBondContact O-N 2.86Å; R57-L401 HydrophobicContact CG-CD2 3.56Å
58	E	97.1	Very high	95.3	Very high	120 Å²	120	49.5 Å²	49.5	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-62	-44.5	175.8	-73.4	-176.9	169.1	0	0	111.7	E54 F55 K61 K62	E54-E58 WeakPolarHBondContact O-CG 3.34Å; E54-E58 PolarHBondContact O-N 2.98Å; F55-E58 PolarHBondContact O-N 3.49Å; E58-K61 PolarHBondContact O-N 3.48Å; E58-K62 WeakPolarHBondContact O-CB 3.32Å; E58-K62 PolarHBondContact O-N 3.32Å
59	K	97.4	Very high	95.6	Very high	31 Å²	31	48.2 Å²	48.2	14%	0.135	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-38.5	176.5	-66.1	-42.7	-177.7	-177	0	112.3	E35 F55 L56 K62 H63 F67	E35-K59 VanDerWaalsContact CD-NZ 3.34Å; E35-K59 HydrophobicContact CG-CD 4.2Å; E35-K59 IonicContact OE1-NZ 3.3Å; E35-K59 PolarHBondContact OE1-NZ 3.36Å; E35-K59 IonicContact OE2-NZ 3.44Å; F55-K59 HydrophobicContact CD1-CG 4.38Å; F55-K59 HydrophobicContact CE1-CG 3.96Å; F55-K59 HydrophobicContact CE2-CD 4.47Å; F55-K59 VanDerWaalsContact CE2-CE 3.46Å; F55-K59 HydrophobicContact CE2-CG 4.22Å; F55-K59 HydrophobicContact CZ-CD 4.43Å; F55-K59 HydrophobicContact CZ-CG 3.88Å; F55-K59 WeakPolarHBondContact O-CG 3.46Å; F55-K59 PolarHBondContact O-N 3.09Å; L56-K59 PolarHBondContact O-N 3.03Å; K59-K62 PolarHBondContact O-N 2.79Å; K59-H63 WeakPolarHBondContact O-CB 3.37Å; K59-H63 PolarHBondContact O-CD2 3.39Å; K59-H63 PolarHBondContact O-N 3.03Å; K59-F67 HydrophobicContact CB-CD1 4.23Å; K59-F67 HydrophobicContact CB-CD2 3.77Å; K59-F67 HydrophobicContact CB-CE1 3.87Å; K59-F67 HydrophobicContact CB-CE2 3.36Å; K59-F67 HydrophobicContact CB-CG 4.19Å; K59-F67 HydrophobicContact CB-CZ 3.42Å; K59-F67 VanDerWaalsContact CB-CZ 3.42Å; K59-F67 HydrophobicContact CG-CD2 4.38Å; K59-F67 HydrophobicContact CG-CE2 4.01Å; K59-F67 HydrophobicContact CG-CZ 4.46Å
60	Q	96.9	Very high	96	Very high	42 Å²	42	48 Å²	48	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-45.5	174.8	-175.4	-178.5	8.8	0	0	111.5	L56 R57 K62 G64 H65 F67 T80	L56-Q60 VanDerWaalsContact O-CB 3.27Å; L56-Q60 WeakPolarHBondContact O-CB 3.43Å; L56-Q60 PolarHBondContact O-N 2.95Å; R57-Q60 PolarHBondContact O-N 3.37Å; Q60-K62 VanDerWaalsContact C-N 3.29Å; Q60-K62 PolarHBondContact O-N 2.89Å; Q60-G64 WeakPolarHBondContact CA-O 3.49Å; Q60-G64 CarbonylContact O-C 3.51Å; Q60-G64 VanDerWaalsContact O-CA 3.27Å; Q60-G64 WeakPolarHBondContact O-CA 3.24Å; Q60-G64 PolarHBondContact O-N 2.68Å; Q60-H65 PolarHBondContact NE2-CE1 3.32Å; Q60-H65 VanDerWaalsContact NE2-CE1 3.25Å; Q60-H65 PolarHBondContact NE2-ND1 2.99Å; Q60-H65 VanDerWaalsContact NE2-ND1 3.2Å; Q60-F67 HydrophobicContact CB-CE1 4.15Å; Q60-T80 PolarHBondContact NE2-OG1 3.42Å
61	K	96.9	Very high	96.2	Very high	178 Å²	178	45.1 Å²	45.1	77%	0.774	21%	0.213	S	C	*	.	H	α-helix	trans	-60.1	-38.7	174.9	-73.1	173.7	-175.9	175.9	0	112.1	R57 E58	R57-K61 WeakPolarHBondContact O-CG 3.27Å; R57-K61 PolarHBondContact O-N 2.86Å; E58-K61 PolarHBondContact O-N 3.48Å
62	K	97.6	Very high	96	Very high	136 Å²	136	43.2 Å²	43.2	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-77.4	-39.8	-177.3	-175.3	178	173.7	-168.8	0	113.7	E35 E58 K59 Q60	E35-K62 IonicContact OE1-NZ 3.56Å; E35-K62 PolarHBondContact OE1-NZ 3.4Å; E58-K62 WeakPolarHBondContact O-CB 3.32Å; E58-K62 PolarHBondContact O-N 3.32Å; K59-K62 PolarHBondContact O-N 2.79Å; Q60-K62 VanDerWaalsContact C-N 3.29Å; Q60-K62 PolarHBondContact O-N 2.89Å
63	H	97.3	Very high	95.7	Very high	46 Å²	46	43.8 Å²	43.8	21%	0.213	21%	0.214	C	C	.	.	H	α-helix	trans	-117.7	-6.1	-166.5	-63	-61.8	0	0	0	114.3	P33 E35 K59 F67	P33-H63 HydrophobicContact CB-CB 3.93Å; P33-H63 WeakPolarHBondContact CB-ND1 3.48Å; P33-H63 HydrophobicContact CG-CB 4.06Å; E35-H63 WeakPolarHBondContact CG-NE2 3.2Å; E35-H63 IonicContact OE1-CD2 3.52Å; E35-H63 IonicContact OE1-CE1 2.73Å; E35-H63 IonicContact OE1-NE2 2.82Å; E35-H63 PolarHBondContact OE1-NE2 2.66Å; K59-H63 WeakPolarHBondContact O-CB 3.37Å; K59-H63 PolarHBondContact O-CD2 3.39Å; K59-H63 PolarHBondContact O-N 3.03Å; H63-F67 HydrophobicContact CB-CB 3.73Å; H63-F67 HydrophobicContact CB-CD1 4.3Å; H63-F67 HydrophobicContact CB-CG 4.3Å
64	G	96	Very high	95.6	Very high	32 Å²	32	47.6 Å²	47.6	33%	0.33	23%	0.231	S	C	.	.			trans	83.5	-156.7	-172.7	0	0	0	0	0	112.5	Q60 I66	Q60-G64 WeakPolarHBondContact CA-O 3.49Å; Q60-G64 CarbonylContact O-C 3.51Å; Q60-G64 VanDerWaalsContact O-CA 3.27Å; Q60-G64 WeakPolarHBondContact O-CA 3.24Å; Q60-G64 PolarHBondContact O-N 2.68Å; G64-I66 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 2.87Å
65	H	96.3	Very high	95.7	Very high	71 Å²	71	45 Å²	45	33%	0.329	22%	0.218	S	C	.	.	S	Bend	trans	-81.8	-7.8	-165.3	-73.6	-66.2	0	0	0	115.9	Q60 T80 D81	Q60-H65 PolarHBondContact NE2-CE1 3.32Å; Q60-H65 VanDerWaalsContact NE2-CE1 3.25Å; Q60-H65 PolarHBondContact NE2-ND1 2.99Å; Q60-H65 VanDerWaalsContact NE2-ND1 3.2Å; H65-T80 VanDerWaalsContact CA-OG1 3.28Å; H65-T80 WeakPolarHBondContact CA-OG1 3.32Å; H65-T80 PolarHBondContact ND1-OG1 3.36Å; H65-T80 PolarHBondContact O-N 3.3Å; H65-T80 PolarHBondContact O-OG1 3.48Å; H65-D81 HydrophobicContact CB-CB 3.71Å
66	I	97.8	Very high	95.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.5	173.8	-172.9	173.4	0	0	0	111.2	P32 P33 G64 F78 L79 L380 L382 Y387	P32-I66 HydrophobicContact CB-CG1 4.12Å; P32-I66 HydrophobicContact CG-CD1 3.97Å; P32-I66 HydrophobicContact CG-CG1 4.02Å; P33-I66 WeakPolarHBondContact CD-O 3.26Å; G64-I66 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 2.87Å; I66-F78 VanDerWaalsContact CA-O 3.31Å; I66-F78 WeakPolarHBondContact CA-O 3.46Å; I66-L79 HydrophobicContact CB-CD1 4.35Å; I66-L380 HydrophobicContact CD1-CD2 3.98Å; I66-L382 HydrophobicContact CB-CD1 4.45Å; I66-L382 HydrophobicContact CD1-CD1 4.21Å; I66-L382 HydrophobicContact CG2-CD1 4.2Å; I66-Y387 HydrophobicContact CD1-CD2 4.02Å; I66-Y387 HydrophobicContact CD1-CG 4.19Å; I66-Y387 HydrophobicContact CG2-CD1 4.18Å; I66-Y387 HydrophobicContact CG2-CD2 3.7Å; I66-Y387 HydrophobicContact CG2-CE1 3.73Å; I66-Y387 HydrophobicContact CG2-CE2 3.24Å; I66-Y387 HydrophobicContact CG2-CG 4.15Å
67	F	98.3	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.8	179.6	53.3	-92.8	0	0	0	110.6	L56 K59 Q60 H63 H77 F78 T80	L56-F67 HydrophobicContact CD2-CE2 3.84Å; L56-F67 HydrophobicContact CD2-CZ 3.81Å; K59-F67 HydrophobicContact CB-CD1 4.23Å; K59-F67 HydrophobicContact CB-CD2 3.77Å; K59-F67 HydrophobicContact CB-CE1 3.87Å; K59-F67 HydrophobicContact CB-CE2 3.36Å; K59-F67 HydrophobicContact CB-CG 4.19Å; K59-F67 HydrophobicContact CB-CZ 3.42Å; K59-F67 VanDerWaalsContact CB-CZ 3.42Å; K59-F67 HydrophobicContact CG-CD2 4.38Å; K59-F67 HydrophobicContact CG-CE2 4.01Å; K59-F67 HydrophobicContact CG-CZ 4.46Å; Q60-F67 HydrophobicContact CB-CE1 4.15Å; H63-F67 HydrophobicContact CB-CB 3.73Å; H63-F67 HydrophobicContact CB-CD1 4.3Å; H63-F67 HydrophobicContact CB-CG 4.3Å; F67-H77 CarbonylContact O-C 3.59Å; F67-H77 WeakPolarHBondContact O-CA 3.48Å; F67-F78 HydrophobicContact CD2-CB 4.18Å; F67-F78 HydrophobicContact CD2-CD2 4.37Å; F67-F78 HydrophobicContact CE1-CB 4.36Å; F67-F78 HydrophobicContact CE2-CB 3.65Å; F67-F78 AromaticContact CE2-CD2 3.86Å; F67-F78 HydrophobicContact CE2-CD2 3.86Å; F67-F78 AromaticContact CE2-CG 3.99Å; F67-F78 HydrophobicContact CE2-CG 3.99Å; F67-F78 HydrophobicContact CZ-CB 3.75Å; F67-F78 HydrophobicContact CZ-CG 4.36Å; F67-F78 PolarHBondContact N-O 2.83Å; F67-F78 PolarHBondContact O-N 2.95Å; F67-T80 HydrophobicContact CE1-CG2 3.97Å; F67-T80 HydrophobicContact CZ-CG2 4.27Å
68	T	98.6	Very high	95.9	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	-177.2	-45.6	0	0	0	0	109.8	P33 L34 E35 Y75 I76 H77	P33-T68 PolarHBondContact O-N 3.02Å; L34-T68 CarbonylContact C-O 3.56Å; L34-T68 HydrophobicContact CD1-CG2 3.72Å; E35-T68 PolarHBondContact N-O 3.14Å; T68-Y75 HydrophobicContact CG2-CD1 4.27Å; T68-I76 CarbonylContact C-O 3.49Å; T68-I76 WeakPolarHBondContact CA-O 3.43Å; T68-H77 PolarHBondContact OG1-CE1 3.34Å; T68-H77 PolarHBondContact OG1-ND1 2.98Å
69	C	97.6	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.4	173.2	-67.4	0	0	0	0	110.3	E35 V71 I76 F78	E35-C69 WeakPolarHBondContact O-CA 3.27Å; C69-V71 HydrophobicContact CB-CG2 4.03Å; C69-V71 PolarHBondContact O-N 3.39Å; C69-I76 PolarHBondContact N-O 2.8Å; C69-I76 PolarHBondContact O-N 3.26Å; C69-F78 HydrophobicContact CB-CD2 4.31Å; C69-F78 HydrophobicContact CB-CE2 4.02Å
70	R	95.3	Very high	95.9	Very high	39 Å²	39	35.5 Å²	35.5	15%	0.147	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.1	164.7	-176.5	57.5	159.1	178.1	10.2	108.3	E35 G43 C44 G73 Q74 Y75	E35-R70 PolarHBondContact O-N 2.97Å; G43-R70 CarbonylContact C-O 3.53Å; G43-R70 WeakPolarHBondContact CA-O 3.3Å; C44-R70 PolarHBondContact N-O 3.07Å; R70-G73 VanDerWaalsContact CZ-CA 3.49Å; R70-G73 PolarHBondContact NH1-O 2.93Å; R70-G73 PolarHBondContact NH2-O 2.93Å; R70-G73 VanDerWaalsContact NH2-O 3.07Å; R70-Q74 CarbonylContact C-O 3.55Å; R70-Q74 WeakPolarHBondContact CA-O 3.4Å; R70-Q74 VanDerWaalsContact CD-O 3.27Å; R70-Q74 WeakPolarHBondContact CD-O 3.28Å; R70-Y75 HydrophobicContact CB-CD1 4.16Å; R70-Y75 HydrophobicContact CB-CE1 3.87Å; R70-Y75 HydrophobicContact CG-CE1 4.15Å; R70-Y75 VanDerWaalsContact CZ-CE2 3.47Å
71	V	92.6	Very high	95.9	Very high	18 Å²	18	34.6 Å²	34.6	11%	0.109	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	114.1	179.2	-178.9	0	0	0	0	108.1	A45 F48 C69 G73 Q74 I76	A45-V71 HydrophobicContact CB-CG1 4.13Å; F48-V71 HydrophobicContact CD1-CG1 4.31Å; C69-V71 HydrophobicContact CB-CG2 4.03Å; C69-V71 PolarHBondContact O-N 3.39Å; V71-G73 PolarHBondContact O-N 2.93Å; V71-Q74 PolarHBondContact N-O 3.47Å; V71-Q74 PolarHBondContact O-N 3.38Å; V71-I76 HydrophobicContact CB-CD1 3.9Å; V71-I76 HydrophobicContact CG1-CD1 4.45Å; V71-I76 HydrophobicContact CG2-CD1 4.24Å
72	A	87.7	Confident	95.8	Very high	30 Å²	30	26.4 Å²	26.4	25%	0.248	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	53	174.5	0	0	0	0	0	113.7	L42 A45 Q74	L42-A72 PolarHBondContact O-N 3.35Å; L42-A72 VanDerWaalsContact O-N 3.12Å; A45-A72 HydrophobicContact CB-CB 4.3Å; A72-Q74 VanDerWaalsContact C-N 3.28Å; A72-Q74 PolarHBondContact O-N 2.98Å
73	G	87.4	Confident	95.7	Very high	13 Å²	13	21.2 Å²	21.2	13%	0.134	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-0.1	177.8	0	0	0	0	0	115.7	Y41 R70 V71	Y41-G73 PolarHBondContact O-N 2.99Å; R70-G73 VanDerWaalsContact CZ-CA 3.49Å; R70-G73 PolarHBondContact NH1-O 2.93Å; R70-G73 PolarHBondContact NH2-O 2.93Å; R70-G73 VanDerWaalsContact NH2-O 3.07Å; V71-G73 PolarHBondContact O-N 2.93Å
74	Q	92.6	Very high	95.6	Very high	90 Å²	90	19.2 Å²	19.2	42%	0.421	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.4	176.4	-60.9	-61.7	-35.5	0	0	111.5	R70 V71 A72 I76 I394	R70-Q74 CarbonylContact C-O 3.55Å; R70-Q74 WeakPolarHBondContact CA-O 3.4Å; R70-Q74 VanDerWaalsContact CD-O 3.27Å; R70-Q74 WeakPolarHBondContact CD-O 3.28Å; V71-Q74 PolarHBondContact N-O 3.47Å; V71-Q74 PolarHBondContact O-N 3.38Å; A72-Q74 VanDerWaalsContact C-N 3.28Å; A72-Q74 PolarHBondContact O-N 2.98Å; Q74-I76 HydrophobicContact CB-CG1 4.28Å; Q74-I394 HydrophobicContact CB-CD1 4.13Å; Q74-I394 HydrophobicContact CG-CD1 4.21Å
75	Y	97	Very high	95.6	Very high	18 Å²	18	17.7 Å²	17.7	7%	0.071	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.3	168.4	-71.9	-81.2	0	0	0	108.6	R25 L34 T68 R70 D393 I394	R25-Y75 HydrophobicContact CB-CE1 3.57Å; R25-Y75 HydrophobicContact CB-CE2 4.06Å; R25-Y75 WeakPolarHBondContact CB-OH 3.47Å; R25-Y75 HydrophobicContact CG-CE1 4.29Å; R25-Y75 VanDerWaalsContact CZ-CG 3.41Å; R25-Y75 PolarHBondContact N-OH 3.48Å; L34-Y75 HydrophobicContact CD1-CD1 3.93Å; L34-Y75 HydrophobicContact CD1-CE1 4Å; T68-Y75 HydrophobicContact CG2-CD1 4.27Å; R70-Y75 HydrophobicContact CB-CD1 4.16Å; R70-Y75 HydrophobicContact CB-CE1 3.87Å; R70-Y75 HydrophobicContact CG-CE1 4.15Å; R70-Y75 VanDerWaalsContact CZ-CE2 3.47Å; Y75-D393 WeakPolarHBondContact CB-OD1 3.44Å; Y75-I394 PolarHBondContact O-N 3.39Å
76	I	97.8	Very high	95.4	Very high	14 Å²	14	17 Å²	17	7%	0.072	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.8	-174.4	-50.8	-177.6	0	0	0	109.1	T68 C69 V71 Q74 F78 I394 A396	T68-I76 CarbonylContact C-O 3.49Å; T68-I76 WeakPolarHBondContact CA-O 3.43Å; C69-I76 PolarHBondContact N-O 2.8Å; C69-I76 PolarHBondContact O-N 3.26Å; V71-I76 HydrophobicContact CB-CD1 3.9Å; V71-I76 HydrophobicContact CG1-CD1 4.45Å; V71-I76 HydrophobicContact CG2-CD1 4.24Å; Q74-I76 HydrophobicContact CB-CG1 4.28Å; I76-F78 HydrophobicContact CB-CD2 4.42Å; I76-F78 HydrophobicContact CB-CE2 3.91Å; I76-F78 HydrophobicContact CB-CZ 4.39Å; I76-F78 HydrophobicContact CG2-CD2 4.06Å; I76-F78 HydrophobicContact CG2-CE1 4.35Å; I76-F78 HydrophobicContact CG2-CE2 3.7Å; I76-F78 HydrophobicContact CG2-CZ 3.87Å; I76-I394 CarbonylContact C-O 3.49Å; I76-I394 VanDerWaalsContact CA-O 3.32Å; I76-I394 WeakPolarHBondContact CA-O 3.5Å; I76-I394 HydrophobicContact CG1-CB 4.26Å; I76-I394 HydrophobicContact CG1-CD1 4.46Å; I76-I394 HydrophobicContact CG2-CB 4.43Å; I76-I394 HydrophobicContact CG2-CG2 4.23Å; I76-A396 HydrophobicContact CG2-CB 3.48Å; I76-A396 VanDerWaalsContact CG2-CB 3.48Å
77	H	98.4	Very high	95.1	Very high	3 Å²	3	17 Å²	17	1%	0.014	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	106	169.7	-49.1	-75.3	0	0	0	109.2	F67 T68 I389 D393 I394 V395 A396	F67-H77 CarbonylContact O-C 3.59Å; F67-H77 WeakPolarHBondContact O-CA 3.48Å; T68-H77 PolarHBondContact OG1-CE1 3.34Å; T68-H77 PolarHBondContact OG1-ND1 2.98Å; H77-I389 HydrophobicContact CB-CD1 4.45Å; H77-D393 IonicContact CE1-OD2 2.65Å; H77-D393 WeakPolarHBondContact NE2-CB 3.41Å; H77-D393 IonicContact NE2-OD2 3.27Å; H77-D393 PolarHBondContact NE2-OD2 3.35Å; H77-I394 PolarHBondContact CD2-O 2.85Å; H77-I394 PolarHBondContact N-O 3.28Å; H77-V395 HydrophobicContact CB-CG2 4.37Å; H77-V395 CarbonylContact O-C 3.57Å; H77-V395 WeakPolarHBondContact O-CA 3.43Å; H77-A396 PolarHBondContact O-N 3.07Å
78	F	98.3	Very high	94.8	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.7	174.8	-72.2	-87.9	0	0	0	109.6	F48 L56 I66 F67 C69 I76 M369 A396	F48-F78 HydrophobicContact CD2-CZ 4.35Å; F48-F78 HydrophobicContact CE2-CE1 4.06Å; F48-F78 AromaticContact CE2-CZ 3.77Å; F48-F78 HydrophobicContact CE2-CZ 3.77Å; F48-F78 HydrophobicContact CZ-CE1 4.4Å; F48-F78 HydrophobicContact CZ-CZ 4.16Å; L56-F78 HydrophobicContact CD1-CD1 4.06Å; L56-F78 HydrophobicContact CD1-CE1 3.96Å; L56-F78 HydrophobicContact CD2-CB 4.31Å; L56-F78 HydrophobicContact CD2-CD1 3.54Å; L56-F78 HydrophobicContact CD2-CD2 3.9Å; L56-F78 HydrophobicContact CD2-CE1 3.66Å; L56-F78 HydrophobicContact CD2-CE2 4.04Å; L56-F78 HydrophobicContact CD2-CG 3.64Å; L56-F78 HydrophobicContact CD2-CZ 3.93Å; L56-F78 HydrophobicContact CG-CD1 4.47Å; L56-F78 HydrophobicContact CG-CE1 4.44Å; I66-F78 VanDerWaalsContact CA-O 3.31Å; I66-F78 WeakPolarHBondContact CA-O 3.46Å; F67-F78 HydrophobicContact CD2-CB 4.18Å; F67-F78 HydrophobicContact CD2-CD2 4.37Å; F67-F78 HydrophobicContact CE1-CB 4.36Å; F67-F78 HydrophobicContact CE2-CB 3.65Å; F67-F78 AromaticContact CE2-CD2 3.86Å; F67-F78 HydrophobicContact CE2-CD2 3.86Å; F67-F78 AromaticContact CE2-CG 3.99Å; F67-F78 HydrophobicContact CE2-CG 3.99Å; F67-F78 HydrophobicContact CZ-CB 3.75Å; F67-F78 HydrophobicContact CZ-CG 4.36Å; F67-F78 PolarHBondContact N-O 2.83Å; F67-F78 PolarHBondContact O-N 2.95Å; C69-F78 HydrophobicContact CB-CD2 4.31Å; C69-F78 HydrophobicContact CB-CE2 4.02Å; I76-F78 HydrophobicContact CB-CD2 4.42Å; I76-F78 HydrophobicContact CB-CE2 3.91Å; I76-F78 HydrophobicContact CB-CZ 4.39Å; I76-F78 HydrophobicContact CG2-CD2 4.06Å; I76-F78 HydrophobicContact CG2-CE1 4.35Å; I76-F78 HydrophobicContact CG2-CE2 3.7Å; I76-F78 HydrophobicContact CG2-CZ 3.87Å; F78-M369 HydrophobicContact CD1-CE 4.44Å; F78-M369 HydrophobicContact CE1-CE 3.47Å; F78-M369 VanDerWaalsContact CE1-CE 3.47Å; F78-M369 HydrophobicContact CZ-CE 3.98Å; F78-A396 WeakPolarHBondContact CA-O 3.32Å; F78-A396 HydrophobicContact CD1-CB 4.37Å; F78-A396 HydrophobicContact CE1-CB 4.43Å
79	L	97.6	Very high	94.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.9	170.5	176.7	65.9	0	0	0	108.7	I66 Y85 L88 L382 A396 L397	I66-L79 HydrophobicContact CB-CD1 4.35Å; L79-Y85 HydrophobicContact CD2-CD1 4.4Å; L79-Y85 HydrophobicContact CG-CD1 4.37Å; L79-Y85 WeakPolarHBondContact O-CE1 3.45Å; L79-L88 HydrophobicContact CD2-CD1 3.65Å; L79-L382 HydrophobicContact CD1-CD1 3.81Å; L79-L382 HydrophobicContact CD1-CD2 3.93Å; L79-L382 HydrophobicContact CD2-CD2 4.03Å; L79-A396 PolarHBondContact N-O 3.28Å; L79-L397 HydrophobicContact CB-CD2 3.82Å; L79-L397 HydrophobicContact CD2-CD2 4.07Å; L79-L397 HydrophobicContact CG-CD2 4.17Å
80	T	96.8	Very high	94.1	Very high	7 Å²	7	30 Å²	30	4%	0.043	14%	0.143	C	C	.	.			trans	-117.4	-8.3	-170.7	63.8	0	0	0	0	113.7	Q60 H65 F67 P82 L401	Q60-T80 PolarHBondContact NE2-OG1 3.42Å; H65-T80 VanDerWaalsContact CA-OG1 3.28Å; H65-T80 WeakPolarHBondContact CA-OG1 3.32Å; H65-T80 PolarHBondContact ND1-OG1 3.36Å; H65-T80 PolarHBondContact O-N 3.3Å; H65-T80 PolarHBondContact O-OG1 3.48Å; F67-T80 HydrophobicContact CE1-CG2 3.97Å; F67-T80 HydrophobicContact CZ-CG2 4.27Å; T80-P82 WeakPolarHBondContact O-CD 3.23Å; T80-L401 HydrophobicContact CG2-CD1 3.59Å
81	D	95.5	Very high	93.9	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.128	14%	0.14	C	C	.	.			trans	-79.7	115.1	172.4	169.3	34.6	0	0	0	110.4	H65 F83 S84 Y85	H65-D81 HydrophobicContact CB-CB 3.71Å; D81-F83 PolarHBondContact O-N 2.99Å; D81-F83 PolarHBondContact OD1-N 3.03Å; D81-F83 VanDerWaalsContact OD1-N 3.14Å; D81-S84 PolarHBondContact O-N 2.92Å; D81-S84 WeakPolarHBondContact OD2-CB 3.45Å; D81-S84 PolarHBondContact OD2-N 2.55Å; D81-S84 PolarHBondContact OD2-OG 3.49Å; D81-Y85 WeakPolarHBondContact O-CD1 3.41Å; D81-Y85 WeakPolarHBondContact O-CE1 3.38Å; D81-Y85 PolarHBondContact O-N 3.04Å
82	P	95.3	Very high	93.7	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.039	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-66.1	-25	-177.2	29.6	-37.2	0	0	0	113.2	T80 S84 Y85 L402 L438	T80-P82 WeakPolarHBondContact O-CD 3.23Å; P82-S84 PolarHBondContact O-N 3.03Å; P82-Y85 HydrophobicContact CB-CD2 4.48Å; P82-Y85 HydrophobicContact CB-CE2 4.33Å; P82-Y85 PolarHBondContact O-N 3.46Å; P82-L402 HydrophobicContact CB-CD1 3.58Å; P82-L402 HydrophobicContact CG-CD1 4.13Å; P82-L438 HydrophobicContact CB-CD2 3.99Å; P82-L438 HydrophobicContact CG-CD2 3.94Å
83	F	95.6	Very high	93.9	Very high	26 Å²	26	37.9 Å²	37.9	11%	0.114	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.6	-26.3	174.2	-64.8	-69.1	0	0	0	112.1	D81 H86 E383 R433 R436 L438	D81-F83 PolarHBondContact O-N 2.99Å; D81-F83 PolarHBondContact OD1-N 3.03Å; D81-F83 VanDerWaalsContact OD1-N 3.14Å; F83-H86 PolarHBondContact O-CE1 3.47Å; F83-H86 PolarHBondContact O-ND1 3.44Å; F83-E383 VanDerWaalsContact CB-OE2 3.23Å; F83-E383 WeakPolarHBondContact CB-OE2 3.37Å; F83-R433 HydrophobicContact CE2-CB 4.01Å; F83-R433 HydrophobicContact CZ-CB 3.94Å; F83-R433 WeakPolarHBondContact CZ-O 3.38Å; F83-R436 HydrophobicContact CD1-CG 4.43Å; F83-R436 VanDerWaalsContact CD1-NH1 3.27Å; F83-R436 HydrophobicContact CE1-CB 3.9Å; F83-R436 HydrophobicContact CE1-CG 3.64Å; F83-R436 HydrophobicContact CZ-CB 3.75Å; F83-R436 HydrophobicContact CZ-CG 4.03Å; F83-L438 HydrophobicContact CD1-CD2 4.16Å; F83-L438 HydrophobicContact CE1-CD2 3.68Å; F83-L438 HydrophobicContact CE1-CG 4.46Å; F83-L438 HydrophobicContact CE2-CD2 4.31Å; F83-L438 HydrophobicContact CZ-CD2 3.76Å
84	S	95.9	Very high	94.4	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87.3	-7.6	178.5	-66.8	0	0	0	0	114.1	D81 P82 H86 S87	D81-S84 PolarHBondContact O-N 2.92Å; D81-S84 WeakPolarHBondContact OD2-CB 3.45Å; D81-S84 PolarHBondContact OD2-N 2.55Å; D81-S84 PolarHBondContact OD2-OG 3.49Å; P82-S84 PolarHBondContact O-N 3.03Å; S84-H86 PolarHBondContact O-N 2.88Å; S84-H86 VanDerWaalsContact O-N 3.16Å; S84-S87 WeakPolarHBondContact O-CB 3.32Å; S84-S87 PolarHBondContact O-N 3.46Å; S84-S87 PolarHBondContact O-OG 2.92Å
85	Y	95.1	Very high	94.5	Very high	1 Å²	1	36 Å²	36	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.2	-177.5	-74.1	2.5	0	0	0	114.1	L79 D81 P82 S87 L88 L397 L402 M443	L79-Y85 HydrophobicContact CD2-CD1 4.4Å; L79-Y85 HydrophobicContact CG-CD1 4.37Å; L79-Y85 WeakPolarHBondContact O-CE1 3.45Å; D81-Y85 WeakPolarHBondContact O-CD1 3.41Å; D81-Y85 WeakPolarHBondContact O-CE1 3.38Å; D81-Y85 PolarHBondContact O-N 3.04Å; P82-Y85 HydrophobicContact CB-CD2 4.48Å; P82-Y85 HydrophobicContact CB-CE2 4.33Å; P82-Y85 PolarHBondContact O-N 3.46Å; Y85-S87 PolarHBondContact O-N 3.01Å; Y85-S87 VanDerWaalsContact O-N 3.15Å; Y85-L88 PolarHBondContact O-N 3.21Å; Y85-L397 HydrophobicContact CD1-CD1 4.01Å; Y85-L397 HydrophobicContact CD1-CD2 3.62Å; Y85-L397 HydrophobicContact CD1-CG 4.37Å; Y85-L397 HydrophobicContact CD2-CD1 4.02Å; Y85-L397 HydrophobicContact CE1-CD1 4.43Å; Y85-L397 HydrophobicContact CE1-CD2 3.77Å; Y85-L397 HydrophobicContact CE1-CG 4.47Å; Y85-L397 HydrophobicContact CE2-CD1 4.43Å; Y85-L397 HydrophobicContact CG-CD1 3.78Å; Y85-L397 HydrophobicContact CG-CD2 4.26Å; Y85-L402 HydrophobicContact CE2-CD2 4.27Å; Y85-M443 HydrophobicContact CD2-CE 3.98Å; Y85-M443 HydrophobicContact CD2-SD 3.48Å; Y85-M443 WeakPolarHBondContact CD2-SD 2.96Å; Y85-M443 HydrophobicContact CE2-CE 4.36Å; Y85-M443 HydrophobicContact CE2-SD 3.65Å
86	H	92.6	Very high	94.4	Very high	56 Å²	56	37 Å²	37	26%	0.259	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	177.6	72.9	-86.1	0	0	0	113.2	F83 S84 L88 I89 R90 Y440	F83-H86 PolarHBondContact O-CE1 3.47Å; F83-H86 PolarHBondContact O-ND1 3.44Å; S84-H86 PolarHBondContact O-N 2.88Å; S84-H86 VanDerWaalsContact O-N 3.16Å; H86-L88 VanDerWaalsContact C-N 3.26Å; H86-L88 PolarHBondContact O-N 3.01Å; H86-I89 PolarHBondContact O-N 3.2Å; H86-I89 VanDerWaalsContact O-N 3.07Å; H86-R90 PolarHBondContact O-N 2.81Å; H86-R90 VanDerWaalsContact O-N 3.07Å; H86-Y440 HydrophobicContact CB-CE2 3.8Å
87	S	92.3	Very high	94.3	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-33.7	179.6	66.1	0	0	0	0	112.7	S84 Y85 I89 R90 Q91 H381	S84-S87 WeakPolarHBondContact O-CB 3.32Å; S84-S87 PolarHBondContact O-N 3.46Å; S84-S87 PolarHBondContact O-OG 2.92Å; Y85-S87 PolarHBondContact O-N 3.01Å; Y85-S87 VanDerWaalsContact O-N 3.15Å; S87-I89 PolarHBondContact O-N 3.1Å; S87-R90 PolarHBondContact O-N 2.97Å; S87-Q91 WeakPolarHBondContact O-CB 3.29Å; S87-Q91 PolarHBondContact O-N 2.91Å; S87-Q91 PolarHBondContact O-NE2 3.38Å; S87-H381 WeakPolarHBondContact CB-O 3.41Å
88	L	90.8	Very high	94.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-25.3	176.7	-85.3	66.4	0	0	0	112.5	L79 Y85 H86 L95 R372 V395 L397	L79-L88 HydrophobicContact CD2-CD1 3.65Å; Y85-L88 PolarHBondContact O-N 3.21Å; H86-L88 VanDerWaalsContact C-N 3.26Å; H86-L88 PolarHBondContact O-N 3.01Å; L88-L95 HydrophobicContact CG-CD1 4.31Å; L88-R372 HydrophobicContact CB-CG 4.39Å; L88-R372 HydrophobicContact CD2-CG 3.89Å; L88-R372 HydrophobicContact CG-CG 4.16Å; L88-V395 HydrophobicContact CD1-CG1 3.91Å; L88-V395 HydrophobicContact CD2-CG1 4.36Å; L88-V395 HydrophobicContact CG-CG1 4.2Å; L88-L397 HydrophobicContact CD1-CD2 4.14Å; L88-L397 HydrophobicContact CD2-CD1 4.02Å; L88-L397 HydrophobicContact CD2-CD2 3.87Å; L88-L397 HydrophobicContact CD2-CG 3.73Å
89	I	90	Very high	93.9	Very high	72 Å²	72	45.1 Å²	45.1	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-85.2	-48.2	174.7	-55.4	175.5	0	0	0	109.5	H86 S87 Q91 G92 Y440 L447	H86-I89 PolarHBondContact O-N 3.2Å; H86-I89 VanDerWaalsContact O-N 3.07Å; S87-I89 PolarHBondContact O-N 3.1Å; I89-Q91 PolarHBondContact O-N 2.83Å; I89-G92 PolarHBondContact O-N 3.44Å; I89-G92 VanDerWaalsContact O-N 3.11Å; I89-Y440 WeakPolarHBondContact CD1-OH 3Å; I89-L447 HydrophobicContact CD1-CD1 4.06Å; I89-L447 HydrophobicContact CD1-CD2 4.41Å; I89-L447 HydrophobicContact CD1-CG 3.95Å; I89-L447 HydrophobicContact CG1-CD2 4.42Å; I89-L447 HydrophobicContact CG1-CG 4.3Å
90	R	91.3	Very high	93.7	Very high	203 Å²	203	47.4 Å²	47.4	77%	0.766	22%	0.22	S	C	*	.	H	α-helix	trans	-58.2	-33	-176.5	-175.1	178.7	172.6	-174	-2.3	112.5	H86 S87	H86-R90 PolarHBondContact O-N 2.81Å; H86-R90 VanDerWaalsContact O-N 3.07Å; S87-R90 PolarHBondContact O-N 2.97Å
91	Q	91.6	Very high	93.7	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.093	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	25.5	-177.8	-67.7	169.2	100.1	0	0	113	S87 I89 K93 H94 L95 T379 H381	S87-Q91 WeakPolarHBondContact O-CB 3.29Å; S87-Q91 PolarHBondContact O-N 2.91Å; S87-Q91 PolarHBondContact O-NE2 3.38Å; I89-Q91 PolarHBondContact O-N 2.83Å; Q91-K93 PolarHBondContact O-N 3.2Å; Q91-H94 PolarHBondContact O-N 2.84Å; Q91-L95 HydrophobicContact CB-CD1 4.39Å; Q91-L95 PolarHBondContact O-N 3.38Å; Q91-T379 PolarHBondContact OE1-O 3.21Å; Q91-H381 PolarHBondContact NE2-O 3.07Å
92	G	88.6	Confident	93.7	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.7	-177.8	0	0	0	0	0	116	I89 H94	I89-G92 PolarHBondContact O-N 3.44Å; I89-G92 VanDerWaalsContact O-N 3.11Å; G92-H94 VanDerWaalsContact C-N 3.35Å
93	K	92.5	Very high	93.7	Very high	192 Å²	192	53.3 Å²	53.3	84%	0.835	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.3	170.9	-67.4	-174	179	-176.4	0	112.5	Q91	Q91-K93 PolarHBondContact O-N 3.2Å
94	H	96.1	Very high	93.7	Very high	61 Å²	61	53.1 Å²	53.1	28%	0.282	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-18.5	-179.5	-51.1	-70.2	0	0	0	112.2	Q91 G92 A374 N375 E376 F378	Q91-H94 PolarHBondContact O-N 2.84Å; G92-H94 VanDerWaalsContact C-N 3.35Å; H94-A374 CarbonylContact O-C 3.56Å; H94-A374 WeakPolarHBondContact O-CA 3.44Å; H94-N375 PolarHBondContact O-N 3.5Å; H94-E376 IonicContact CE1-OE1 3.52Å; H94-E376 PolarHBondContact CE1-OE1 2.87Å; H94-E376 VanDerWaalsContact CE1-OE1 3.27Å; H94-E376 IonicContact CG-OE1 3.52Å; H94-E376 IonicContact ND1-OE1 2.7Å; H94-E376 PolarHBondContact ND1-OE1 2.87Å; H94-F378 HydrophobicContact CB-CB 4.25Å; H94-F378 HydrophobicContact CB-CD1 3.92Å; H94-F378 HydrophobicContact CB-CD2 3.72Å; H94-F378 HydrophobicContact CB-CE1 4.18Å; H94-F378 HydrophobicContact CB-CE2 4.01Å; H94-F378 HydrophobicContact CB-CG 3.69Å; H94-F378 HydrophobicContact CB-CZ 4.24Å; H94-F378 AromaticContact CD2-CD2 4Å; H94-F378 AromaticContact CG-CD2 3.88Å; H94-F378 AromaticContact CG-CG 3.97Å
95	L	95.6	Very high	93.8	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.4	-172.9	-73.5	177.2	0	0	0	111.3	L88 Q91 R372 V373 F378 L380 V395	L88-L95 HydrophobicContact CG-CD1 4.31Å; Q91-L95 HydrophobicContact CB-CD1 4.39Å; Q91-L95 PolarHBondContact O-N 3.38Å; L95-R372 HydrophobicContact CB-CB 4Å; L95-R372 HydrophobicContact CB-CG 4.34Å; L95-R372 HydrophobicContact CD1-CB 4.47Å; L95-R372 HydrophobicContact CD2-CB 3.93Å; L95-R372 HydrophobicContact CG-CB 4.36Å; L95-V373 CarbonylContact C-O 3.57Å; L95-F378 HydrophobicContact CD1-CZ 4.24Å; L95-F378 HydrophobicContact CD2-CE1 3.92Å; L95-F378 HydrophobicContact CD2-CZ 3.69Å; L95-F378 HydrophobicContact CG-CE1 4.37Å; L95-F378 HydrophobicContact CG-CZ 3.8Å; L95-L380 HydrophobicContact CD1-CD1 4.24Å; L95-V395 HydrophobicContact CD2-CB 4.37Å; L95-V395 HydrophobicContact CD2-CG2 3.91Å
96	D	95.6	Very high	93.9	Very high	41 Å²	41	55 Å²	55	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.7	175.7	-164.8	-68.7	0	0	0	111.2	K98 K99 R372 V373 N375	D96-K98 WeakPolarHBondContact OD1-CA 3.25Å; D96-K98 PolarHBondContact OD1-N 3.42Å; D96-K99 HydrophobicContact CB-CB 4.41Å; D96-K99 PolarHBondContact OD1-N 3.26Å; D96-R372 CarbonylContact O-C 3.53Å; D96-R372 VanDerWaalsContact O-CA 3.27Å; D96-R372 WeakPolarHBondContact O-CA 3.27Å; D96-V373 PolarHBondContact N-O 3.11Å; D96-V373 PolarHBondContact O-N 3.47Å; D96-N375 WeakPolarHBondContact CB-OD1 3.22Å
97	W	94.5	Very high	94	Very high	57 Å²	57	58.1 Å²	58.1	22%	0.216	28%	0.284	C	S	.	.	S	Bend	trans	-102	-6.8	-179.7	67	-90.7	0	0	0	114.1	H101 H126 R372 I449 A450	W97-H101 PolarHBondContact O-CD2 3.47Å; W97-H126 HydrophobicContact CH2-CB 3.86Å; W97-H126 AromaticContact CH2-CG 3.69Å; W97-H126 AromaticContact CH2-ND1 3.68Å; W97-H126 HydrophobicContact CZ2-CB 4.46Å; W97-R372 VanDerWaalsContact CB-CZ 3.47Å; W97-I449 HydrophobicContact CD2-CG2 4.13Å; W97-I449 HydrophobicContact CG-CG2 4.14Å; W97-I449 HydrophobicContact CZ2-CD1 4.12Å; W97-I449 HydrophobicContact CZ2-CG1 4.07Å; W97-I449 HydrophobicContact CZ2-CG2 4.35Å; W97-A450 HydrophobicContact CB-CB 4.48Å; W97-A450 HydrophobicContact CD2-CB 4.46Å; W97-A450 HydrophobicContact CE3-CB 4.02Å
98	K	95	Very high	94.3	Very high	57 Å²	57	58 Å²	58	25%	0.248	28%	0.283	C	S	.	.	S	Bend	trans	-101.7	-41	-175.3	-62.7	-179.9	179.4	-177.7	0	112.6	D96 F100 H101 F102	D96-K98 WeakPolarHBondContact OD1-CA 3.25Å; D96-K98 PolarHBondContact OD1-N 3.42Å; K98-F100 VanDerWaalsContact C-N 3.32Å; K98-F100 PolarHBondContact O-N 3.48Å; K98-F100 VanDerWaalsContact O-N 3.17Å; K98-H101 WeakPolarHBondContact O-CA 3.47Å; K98-H101 PolarHBondContact O-N 3.12Å; K98-F102 HydrophobicContact CB-CD2 3.99Å; K98-F102 HydrophobicContact CB-CE1 4.47Å; K98-F102 HydrophobicContact CB-CE2 3.79Å; K98-F102 HydrophobicContact CB-CG 4.45Å; K98-F102 HydrophobicContact CB-CZ 4.06Å; K98-F102 HydrophobicContact CD-CE2 3.93Å; K98-F102 HydrophobicContact CD-CZ 3.94Å; K98-F102 HydrophobicContact CG-CE2 4.33Å; K98-F102 HydrophobicContact CG-CZ 4.25Å; K98-F102 PolarHBondContact O-N 3.02Å
99	K	94.1	Very high	94.7	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-49	-48.5	-169.5	-144.6	-179.9	-175.2	-174.1	0	113	D96 A103 V373 D392	D96-K99 HydrophobicContact CB-CB 4.41Å; D96-K99 PolarHBondContact OD1-N 3.26Å; K99-A103 WeakPolarHBondContact O-CB 3.29Å; K99-A103 PolarHBondContact O-N 2.81Å; K99-A103 VanDerWaalsContact O-N 3.13Å; K99-V373 HydrophobicContact CB-CB 4.47Å; K99-V373 HydrophobicContact CB-CG2 4.27Å; K99-V373 HydrophobicContact CD-CG1 4.26Å; K99-D392 IonicContact NZ-OD1 3.94Å; K99-D392 PolarHBondContact NZ-OD1 3.48Å
100	F	93.9	Very high	95	Very high	48 Å²	48	56.4 Å²	56.4	21%	0.211	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.5	-179.5	-91.6	0	0	0	112.6	K98 T104 F371 V373 I394	K98-F100 VanDerWaalsContact C-N 3.32Å; K98-F100 PolarHBondContact O-N 3.48Å; K98-F100 VanDerWaalsContact O-N 3.17Å; F100-T104 VanDerWaalsContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CB 3.41Å; F100-T104 PolarHBondContact O-N 2.89Å; F100-T104 PolarHBondContact O-OG1 2.9Å; F100-F371 HydrophobicContact CB-CB 4.45Å; F100-F371 HydrophobicContact CD1-CB 3.97Å; F100-F371 AromaticContact CD1-CD2 3.67Å; F100-F371 HydrophobicContact CD1-CD2 3.67Å; F100-F371 HydrophobicContact CD1-CE2 4.34Å; F100-F371 AromaticContact CD1-CG 3.92Å; F100-F371 HydrophobicContact CD1-CG 3.92Å; F100-F371 HydrophobicContact CE1-CB 4.47Å; F100-F371 AromaticContact CE1-CD2 3.38Å; F100-F371 HydrophobicContact CE1-CD2 3.38Å; F100-F371 AromaticContact CE1-CE2 3.58Å; F100-F371 HydrophobicContact CE1-CE2 3.58Å; F100-F371 AromaticContact CE1-CG 3.91Å; F100-F371 HydrophobicContact CE1-CG 3.91Å; F100-F371 HydrophobicContact CE1-CZ 4.24Å; F100-F371 HydrophobicContact CG-CB 4.16Å; F100-F371 HydrophobicContact CG-CG 4.36Å; F100-F371 HydrophobicContact CZ-CD2 4.04Å; F100-F371 HydrophobicContact CZ-CE1 4.44Å; F100-F371 AromaticContact CZ-CE2 3.95Å; F100-F371 HydrophobicContact CZ-CE2 3.95Å; F100-F371 HydrophobicContact CZ-CG 4.33Å; F100-F371 HydrophobicContact CZ-CZ 4.14Å; F100-V373 HydrophobicContact CB-CG2 3.93Å; F100-I394 HydrophobicContact CD2-CD1 3.88Å; F100-I394 HydrophobicContact CE2-CD1 4.05Å
101	H	95.2	Very high	95.3	Very high	76 Å²	76	47.2 Å²	47.2	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-70.1	-40.9	-177.5	-62.6	-55.1	0	0	0	112	W97 K98 T104 S105	W97-H101 PolarHBondContact O-CD2 3.47Å; K98-H101 WeakPolarHBondContact O-CA 3.47Å; K98-H101 PolarHBondContact O-N 3.12Å; H101-T104 PolarHBondContact O-N 3.3Å; H101-S105 WeakPolarHBondContact O-CB 3.13Å; H101-S105 PolarHBondContact O-N 3.34Å
102	F	96.9	Very high	95.6	Very high	27 Å²	27	47.2 Å²	47.2	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-47.1	176.3	-70.4	-10.1	0	0	0	112	K98 T104 S105 A106 I114 D115	K98-F102 HydrophobicContact CB-CD2 3.99Å; K98-F102 HydrophobicContact CB-CE1 4.47Å; K98-F102 HydrophobicContact CB-CE2 3.79Å; K98-F102 HydrophobicContact CB-CG 4.45Å; K98-F102 HydrophobicContact CB-CZ 4.06Å; K98-F102 HydrophobicContact CD-CE2 3.93Å; K98-F102 HydrophobicContact CD-CZ 3.94Å; K98-F102 HydrophobicContact CG-CE2 4.33Å; K98-F102 HydrophobicContact CG-CZ 4.25Å; K98-F102 PolarHBondContact O-N 3.02Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 2.98Å; F102-S105 PolarHBondContact O-N 2.94Å; F102-A106 PolarHBondContact O-N 3.48Å; F102-I114 HydrophobicContact CB-CG1 3.98Å; F102-I114 HydrophobicContact CD1-CD1 3.53Å; F102-I114 HydrophobicContact CD1-CG1 3.71Å; F102-I114 HydrophobicContact CE1-CD1 3.92Å; F102-I114 HydrophobicContact CE1-CG1 4.25Å; F102-I114 HydrophobicContact CG-CD1 4.18Å; F102-I114 HydrophobicContact CG-CG1 3.84Å; F102-D115 HydrophobicContact CD2-CB 3.81Å; F102-D115 HydrophobicContact CE2-CB 4.45Å
103	A	95.3	Very high	96	Very high	58 Å²	58	46.9 Å²	46.9	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-38.5	175.8	0	0	0	0	0	112.2	K99 K107	K99-A103 WeakPolarHBondContact O-CB 3.29Å; K99-A103 PolarHBondContact O-N 2.81Å; K99-A103 VanDerWaalsContact O-N 3.13Å; A103-K107 VanDerWaalsContact O-CB 3.32Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.08Å; A103-K107 VanDerWaalsContact O-N 3.13Å
104	T	95.1	Very high	96.2	Very high	23 Å²	23	38.4 Å²	38.4	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-45.2	176.5	-59	0	0	0	0	111.3	F100 H101 F102 K107 V108 V228	F100-T104 VanDerWaalsContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CB 3.41Å; F100-T104 PolarHBondContact O-N 2.89Å; F100-T104 PolarHBondContact O-OG1 2.9Å; H101-T104 PolarHBondContact O-N 3.3Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 2.98Å; T104-K107 PolarHBondContact O-N 3.06Å; T104-V108 HydrophobicContact CG2-CG2 4Å; T104-V108 WeakPolarHBondContact O-CB 3.39Å; T104-V108 WeakPolarHBondContact O-CG2 3.41Å; T104-V108 PolarHBondContact O-N 3.06Å; T104-V228 HydrophobicContact CG2-CG1 4.36Å; T104-V228 HydrophobicContact CG2-CG2 3.91Å
105	S	97.7	Very high	96.2	Very high	22 Å²	22	37 Å²	37	15%	0.154	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-52.3	177.7	-169.8	0	0	0	0	111.6	H101 F102 K107 V108 F109 H111	H101-S105 WeakPolarHBondContact O-CB 3.13Å; H101-S105 PolarHBondContact O-N 3.34Å; F102-S105 PolarHBondContact O-N 2.94Å; S105-K107 VanDerWaalsContact C-N 3.28Å; S105-K107 PolarHBondContact O-N 3.45Å; S105-V108 PolarHBondContact O-N 2.9Å; S105-F109 VanDerWaalsContact O-CD2 3.31Å; S105-F109 WeakPolarHBondContact O-CD2 3.48Å; S105-F109 PolarHBondContact O-N 3.12Å; S105-H111 PolarHBondContact O-NE2 2.95Å; S105-H111 PolarHBondContact OG-NE2 3.35Å
106	A	97.3	Very high	96.1	Very high	21 Å²	21	39.7 Å²	39.7	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-44.2	178.9	0	0	0	0	0	111.6	F102 G110 H111	F102-A106 PolarHBondContact O-N 3.48Å; A106-G110 WeakPolarHBondContact O-CA 3.42Å; A106-G110 PolarHBondContact O-N 3.15Å; A106-H111 WeakPolarHBondContact CA-O 3.2Å; A106-H111 WeakPolarHBondContact CB-O 3.39Å; A106-H111 PolarHBondContact N-CE1 2.81Å; A106-H111 PolarHBondContact O-N 3.36Å
107	K	95.8	Very high	95.9	Very high	122 Å²	122	43.8 Å²	43.8	53%	0.53	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-48.8	178.7	-173.6	-170.6	-57.5	176.3	0	113.1	A103 T104 S105	A103-K107 VanDerWaalsContact O-CB 3.32Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.08Å; A103-K107 VanDerWaalsContact O-N 3.13Å; T104-K107 PolarHBondContact O-N 3.06Å; S105-K107 VanDerWaalsContact C-N 3.28Å; S105-K107 PolarHBondContact O-N 3.45Å
108	V	97.6	Very high	95.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-75	-48	-171	172	0	0	0	0	111	T104 S105 F220 F224 L227 V228 R243	T104-V108 HydrophobicContact CG2-CG2 4Å; T104-V108 WeakPolarHBondContact O-CB 3.39Å; T104-V108 WeakPolarHBondContact O-CG2 3.41Å; T104-V108 PolarHBondContact O-N 3.06Å; S105-V108 PolarHBondContact O-N 2.9Å; V108-F220 HydrophobicContact CG1-CZ 3.93Å; V108-F224 HydrophobicContact CB-CE2 4.5Å; V108-F224 HydrophobicContact CG1-CD2 3.69Å; V108-F224 HydrophobicContact CG1-CE1 4.45Å; V108-F224 HydrophobicContact CG1-CE2 3.31Å; V108-F224 HydrophobicContact CG1-CG 4.42Å; V108-F224 HydrophobicContact CG1-CZ 3.75Å; V108-L227 HydrophobicContact CB-CB 4.38Å; V108-L227 HydrophobicContact CG1-CB 4.2Å; V108-L227 HydrophobicContact CG1-CD1 3.88Å; V108-L227 HydrophobicContact CG2-CB 3.84Å; V108-V228 HydrophobicContact CG2-CG2 3.96Å; V108-R243 PolarHBondContact O-NH1 2.99Å
109	F	98.3	Very high	95.8	Very high	11 Å²	11	47 Å²	47	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-87.2	-17.7	-177.4	-58.1	-72.7	0	0	0	112.8	S105 F220 F224 K285 V288 A289 W292	S105-F109 VanDerWaalsContact O-CD2 3.31Å; S105-F109 WeakPolarHBondContact O-CD2 3.48Å; S105-F109 PolarHBondContact O-N 3.12Å; F109-F220 AromaticContact CD1-CE1 4Å; F109-F220 HydrophobicContact CD1-CE1 4Å; F109-F220 AromaticContact CD1-CZ 3.87Å; F109-F220 HydrophobicContact CD1-CZ 3.87Å; F109-F220 AromaticContact CE1-CE1 3.73Å; F109-F220 HydrophobicContact CE1-CE1 3.73Å; F109-F220 AromaticContact CE1-CZ 3.95Å; F109-F220 HydrophobicContact CE1-CZ 3.95Å; F109-F224 HydrophobicContact CE1-CE2 4.08Å; F109-F224 HydrophobicContact CE2-CE2 4.38Å; F109-F224 HydrophobicContact CE2-CZ 4.45Å; F109-F224 AromaticContact CZ-CE2 3.66Å; F109-F224 HydrophobicContact CZ-CE2 3.66Å; F109-F224 HydrophobicContact CZ-CZ 4.06Å; F109-K285 WeakPolarHBondContact O-CD 3.25Å; F109-K285 WeakPolarHBondContact O-CG 3.45Å; F109-V288 HydrophobicContact CD1-CG1 4.04Å; F109-V288 HydrophobicContact CE1-CG1 4.4Å; F109-A289 HydrophobicContact CD1-CB 4.19Å; F109-A289 HydrophobicContact CD2-CB 3.64Å; F109-A289 HydrophobicContact CE1-CB 4.22Å; F109-A289 HydrophobicContact CE2-CB 3.71Å; F109-A289 HydrophobicContact CG-CB 3.91Å; F109-A289 HydrophobicContact CZ-CB 4Å; F109-W292 HydrophobicContact CE1-CB 3.73Å; F109-W292 HydrophobicContact CE1-CG 4.11Å; F109-W292 HydrophobicContact CZ-CB 3.8Å; F109-W292 HydrophobicContact CZ-CD2 4.2Å; F109-W292 HydrophobicContact CZ-CE3 4.3Å; F109-W292 AromaticContact CZ-CG 3.98Å; F109-W292 HydrophobicContact CZ-CG 3.98Å
110	G	97.5	Very high	95.9	Very high	27 Å²	27	45.9 Å²	45.9	28%	0.278	28%	0.276	S	S	.	.			trans	79.8	30.6	172	0	0	0	0	0	114.5	A106 K285	A106-G110 WeakPolarHBondContact O-CA 3.42Å; A106-G110 PolarHBondContact O-N 3.15Å; G110-K285 VanDerWaalsContact O-CD 3.22Å; G110-K285 WeakPolarHBondContact O-CD 3.09Å; G110-K285 WeakPolarHBondContact O-CE 3.28Å; G110-K285 PolarHBondContact O-NZ 3.08Å
111	H	97.9	Very high	96.1	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.051	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-100.8	159.9	173	61.7	74.2	0	0	0	110.5	S105 A106 I114 E282 K285	S105-H111 PolarHBondContact O-NE2 2.95Å; S105-H111 PolarHBondContact OG-NE2 3.35Å; A106-H111 WeakPolarHBondContact CA-O 3.2Å; A106-H111 WeakPolarHBondContact CB-O 3.39Å; A106-H111 PolarHBondContact N-CE1 2.81Å; A106-H111 PolarHBondContact O-N 3.36Å; H111-I114 VanDerWaalsContact CE1-CG2 3.49Å; H111-I114 WeakPolarHBondContact CE1-CG2 3.28Å; H111-E282 HydrophobicContact CB-CB 4.48Å; H111-K285 HydrophobicContact CB-CB 4.04Å; H111-K285 HydrophobicContact CB-CD 4.37Å
112	G	96.9	Very high	96.2	Very high	20 Å²	20	44.9 Å²	44.9	21%	0.206	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-57.4	164.9	171.1	0	0	0	0	0	113	I114 E282	G112-I114 PolarHBondContact O-N 3.45Å; G112-E282 WeakPolarHBondContact CA-OE1 3.34Å; G112-E282 PolarHBondContact N-OE1 3.29Å
113	S	97.3	Very high	96.2	Very high	34 Å²	34	43.8 Å²	43.8	24%	0.238	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-57.4	130.6	-177.7	-175.4	0	0	0	0	111.4	D115 E118 N120	S113-D115 VanDerWaalsContact C-N 3.33Å; S113-D115 WeakPolarHBondContact OG-CB 3.39Å; S113-D115 PolarHBondContact OG-N 3.04Å; S113-E118 WeakPolarHBondContact OG-CG 3.35Å; S113-N120 PolarHBondContact N-ND2 3.5Å; S113-N120 WeakPolarHBondContact O-CB 3.45Å; S113-N120 PolarHBondContact O-ND2 3.45Å
114	I	96.7	Very high	96.2	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.067	27%	0.27	C	S	.	.			trans	-94	7	173	56.8	170.4	0	0	0	112.3	F102 H111 G112 P116 F125 F278	F102-I114 HydrophobicContact CB-CG1 3.98Å; F102-I114 HydrophobicContact CD1-CD1 3.53Å; F102-I114 HydrophobicContact CD1-CG1 3.71Å; F102-I114 HydrophobicContact CE1-CD1 3.92Å; F102-I114 HydrophobicContact CE1-CG1 4.25Å; F102-I114 HydrophobicContact CG-CD1 4.18Å; F102-I114 HydrophobicContact CG-CG1 3.84Å; H111-I114 VanDerWaalsContact CE1-CG2 3.49Å; H111-I114 WeakPolarHBondContact CE1-CG2 3.28Å; G112-I114 PolarHBondContact O-N 3.45Å; I114-P116 WeakPolarHBondContact O-CD 3.49Å; I114-F125 HydrophobicContact CB-CD2 4.42Å; I114-F125 HydrophobicContact CB-CE2 3.68Å; I114-F125 HydrophobicContact CB-CZ 3.98Å; I114-F125 HydrophobicContact CG2-CE2 4.06Å; I114-F125 HydrophobicContact CG2-CZ 3.83Å; I114-F278 HydrophobicContact CG2-CE2 4.09Å; I114-F278 HydrophobicContact CG2-CZ 3.76Å
115	D	95.9	Very high	96.2	Very high	33 Å²	33	44 Å²	44	18%	0.176	27%	0.266	C	S	.	.			trans	-74.2	120.3	170.4	-164.8	-32.5	0	0	0	109.3	F102 S113 V117 E118	F102-D115 HydrophobicContact CD2-CB 3.81Å; F102-D115 HydrophobicContact CE2-CB 4.45Å; S113-D115 VanDerWaalsContact C-N 3.33Å; S113-D115 WeakPolarHBondContact OG-CB 3.39Å; S113-D115 PolarHBondContact OG-N 3.04Å; D115-V117 PolarHBondContact O-N 2.98Å; D115-V117 WeakPolarHBondContact OD1-CB 3.49Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 2.93Å; D115-E118 HydrophobicContact CB-CG 4.15Å; D115-E118 PolarHBondContact O-N 3.02Å
116	P	93.3	Very high	96	Very high	56 Å²	56	44.3 Å²	44.3	36%	0.364	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58.7	-22.1	179.8	-26.1	36.1	0	0	0	114.6	I114 E118 G119 T121	I114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-E118 PolarHBondContact O-N 3.5Å; P116-G119 PolarHBondContact O-N 3.49Å; P116-T121 VanDerWaalsContact CA-O 3.28Å; P116-T121 WeakPolarHBondContact CA-O 3.41Å
117	V	92.7	Very high	96	Very high	127 Å²	127	48.4 Å²	48.4	77%	0.77	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.1	-28.4	175.6	178.9	0	0	0	0	112	D115 G119	D115-V117 PolarHBondContact O-N 2.98Å; D115-V117 WeakPolarHBondContact OD1-CB 3.49Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 2.93Å; V117-G119 VanDerWaalsContact C-N 3.33Å
118	E	93.6	Very high	96	Very high	129 Å²	129	43 Å²	43	60%	0.603	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-85.6	-4.9	-179.6	-61.2	-69.5	154.2	0	0	112.8	S113 D115 P116 N120	S113-E118 WeakPolarHBondContact OG-CG 3.35Å; D115-E118 HydrophobicContact CB-CG 4.15Å; D115-E118 PolarHBondContact O-N 3.02Å; P116-E118 PolarHBondContact O-N 3.5Å; E118-N120 PolarHBondContact O-N 3.46Å
119	G	93.8	Very high	96	Very high	54 Å²	54	45.4 Å²	45.4	56%	0.557	27%	0.268	S	S	*	.	S	Bend	trans	81.6	-4.8	167.4	0	0	0	0	0	117.5	P116 V117 T121	P116-G119 PolarHBondContact O-N 3.49Å; V117-G119 VanDerWaalsContact C-N 3.33Å; G119-T121 VanDerWaalsContact C-N 3.26Å; G119-T121 PolarHBondContact O-N 2.95Å
120	N	95.8	Very high	95.9	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	28%	0.278	S	S	.	.	S	Bend	trans	-71.6	-21.9	177.6	-55.5	-48.8	0	0	0	113.2	S113 E118 S276 T277 F278	S113-N120 PolarHBondContact N-ND2 3.5Å; S113-N120 WeakPolarHBondContact O-CB 3.45Å; S113-N120 PolarHBondContact O-ND2 3.45Å; E118-N120 PolarHBondContact O-N 3.46Å; N120-S276 CarbonylContact O-C 3.49Å; N120-S276 VanDerWaalsContact O-CA 3.25Å; N120-S276 WeakPolarHBondContact O-CA 3.34Å; N120-T277 PolarHBondContact O-N 2.81Å; N120-T277 PolarHBondContact O-OG1 3.03Å; N120-F278 HydrophobicContact CB-CD1 4.42Å; N120-F278 HydrophobicContact CB-CE1 3.68Å; N120-F278 HydrophobicContact CB-CZ 4.02Å
121	T	97.3	Very high	95.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-154.9	151.7	175.2	-176	0	0	0	0	112	P116 G119 E123 F125 L275 F278	P116-T121 VanDerWaalsContact CA-O 3.28Å; P116-T121 WeakPolarHBondContact CA-O 3.41Å; G119-T121 VanDerWaalsContact C-N 3.26Å; G119-T121 PolarHBondContact O-N 2.95Å; T121-E123 WeakPolarHBondContact OG1-CB 3.38Å; T121-E123 PolarHBondContact OG1-N 2.81Å; T121-E123 VanDerWaalsContact OG1-N 3.09Å; T121-F125 HydrophobicContact CG2-CE2 3.92Å; T121-F125 HydrophobicContact CG2-CZ 4.39Å; T121-L275 CarbonylContact C-O 3.44Å; T121-L275 WeakPolarHBondContact CA-O 3.03Å; T121-L275 WeakPolarHBondContact CB-O 3.47Å; T121-L275 PolarHBondContact OG1-O 3.08Å; T121-F278 HydrophobicContact CG2-CE2 4.32Å; T121-F278 HydrophobicContact CG2-CZ 4.41Å
122	T	96.8	Very high	95.9	Very high	102 Å²	102	53.3 Å²	53.3	63%	0.626	29%	0.292	S	S	*	.			trans	-102.9	5.5	169.7	58.9	0	0	0	0	112.8	N124 L275	T122-N124 PolarHBondContact O-N 3.04Å; T122-L275 PolarHBondContact N-O 3.12Å
123	E	96.8	Very high	95.9	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.014	29%	0.286	C	S	.	.			trans	-62.4	133.8	-179.8	-178.8	178.9	176.5	0	0	111.9	T121 F125 T128 R268 L271	T121-E123 WeakPolarHBondContact OG1-CB 3.38Å; T121-E123 PolarHBondContact OG1-N 2.81Å; T121-E123 VanDerWaalsContact OG1-N 3.09Å; E123-F125 HydrophobicContact CB-CD2 4.4Å; E123-F125 HydrophobicContact CB-CE2 4.1Å; E123-F125 HydrophobicContact CB-CZ 4.41Å; E123-F125 HydrophobicContact CG-CD1 4.49Å; E123-F125 HydrophobicContact CG-CD2 4.25Å; E123-F125 HydrophobicContact CG-CE2 4.31Å; E123-F125 HydrophobicContact CG-CG 4.33Å; E123-F125 HydrophobicContact CG-CZ 4.48Å; E123-F125 PolarHBondContact O-N 3.16Å; E123-F125 WeakPolarHBondContact OE2-CE1 3.36Å; E123-T128 VanDerWaalsContact OE1-CB 3.3Å; E123-T128 WeakPolarHBondContact OE1-CB 3.5Å; E123-T128 WeakPolarHBondContact OE1-CG2 3.46Å; E123-T128 PolarHBondContact OE1-OG1 3.23Å; E123-R268 VanDerWaalsContact OE1-CD 3.29Å; E123-R268 WeakPolarHBondContact OE1-CD 3.44Å; E123-R268 IonicContact OE1-NE 2.76Å; E123-R268 IonicContact OE2-NE 2.92Å; E123-L271 HydrophobicContact CG-CB 4.47Å; E123-L271 HydrophobicContact CG-CD1 4.01Å; E123-L271 WeakPolarHBondContact OE1-CD1 3.21Å
124	N	96.3	Very high	95.8	Very high	74 Å²	74	53.3 Å²	53.3	40%	0.396	28%	0.284	S	S	.	.			trans	-93.3	84.2	165.2	-171.7	-17.2	0	0	0	110.5	T122 H126 Q127 T128	T122-N124 PolarHBondContact O-N 3.04Å; N124-H126 PolarHBondContact O-N 2.78Å; N124-H126 PolarHBondContact OD1-N 3.48Å; N124-Q127 HydrophobicContact CB-CB 4.27Å; N124-Q127 HydrophobicContact CB-CG 4.35Å; N124-Q127 WeakPolarHBondContact ND2-CG 3.43Å; N124-Q127 PolarHBondContact O-N 2.94Å; N124-T128 PolarHBondContact O-N 3.35Å; N124-T128 VanDerWaalsContact O-N 3.09Å; N124-T128 PolarHBondContact O-OG1 3Å
125	F	94.9	Very high	95.7	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-49.5	-37.8	-177.6	-72.3	-88.7	0	0	0	113.8	I114 T121 E123 Q127 T128 F129	I114-F125 HydrophobicContact CB-CD2 4.42Å; I114-F125 HydrophobicContact CB-CE2 3.68Å; I114-F125 HydrophobicContact CB-CZ 3.98Å; I114-F125 HydrophobicContact CG2-CE2 4.06Å; I114-F125 HydrophobicContact CG2-CZ 3.83Å; T121-F125 HydrophobicContact CG2-CE2 3.92Å; T121-F125 HydrophobicContact CG2-CZ 4.39Å; E123-F125 HydrophobicContact CB-CD2 4.4Å; E123-F125 HydrophobicContact CB-CE2 4.1Å; E123-F125 HydrophobicContact CB-CZ 4.41Å; E123-F125 HydrophobicContact CG-CD1 4.49Å; E123-F125 HydrophobicContact CG-CD2 4.25Å; E123-F125 HydrophobicContact CG-CE2 4.31Å; E123-F125 HydrophobicContact CG-CG 4.33Å; E123-F125 HydrophobicContact CG-CZ 4.48Å; E123-F125 PolarHBondContact O-N 3.16Å; E123-F125 WeakPolarHBondContact OE2-CE1 3.36Å; F125-Q127 PolarHBondContact O-N 3.1Å; F125-T128 WeakPolarHBondContact O-CB 3.37Å; F125-T128 PolarHBondContact O-N 2.66Å; F125-F129 HydrophobicContact CB-CD2 4.42Å; F125-F129 HydrophobicContact CB-CE2 3.94Å; F125-F129 HydrophobicContact CD1-CZ 4.34Å; F125-F129 WeakPolarHBondContact O-CD2 3.39Å; F125-F129 VanDerWaalsContact O-CG 3.28Å; F125-F129 WeakPolarHBondContact O-CG 3.3Å; F125-F129 PolarHBondContact O-N 2.84Å
126	H	94.4	Very high	95.5	Very high	29 Å²	29	59.8 Å²	59.8	13%	0.134	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.8	-177.8	64.5	0	0	0	112.4	W97 N124 F129 I130 I449	W97-H126 HydrophobicContact CH2-CB 3.86Å; W97-H126 AromaticContact CH2-CG 3.69Å; W97-H126 AromaticContact CH2-ND1 3.68Å; W97-H126 HydrophobicContact CZ2-CB 4.46Å; N124-H126 PolarHBondContact O-N 2.78Å; N124-H126 PolarHBondContact OD1-N 3.48Å; H126-F129 PolarHBondContact O-N 2.94Å; H126-I130 WeakPolarHBondContact NE2-CD1 3.44Å; H126-I130 WeakPolarHBondContact O-CG1 3.49Å; H126-I130 PolarHBondContact O-N 3.46Å; H126-I449 PolarHBondContact CE1-O 3.05Å; H126-I449 WeakPolarHBondContact NE2-CG1 3.1Å
127	Q	96	Very high	95.5	Very high	107 Å²	107	57.6 Å²	57.6	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-68.8	-39.4	176.6	-70.6	-64.5	-18.5	0	0	111.1	N124 F125 F129 I130 R131	N124-Q127 HydrophobicContact CB-CB 4.27Å; N124-Q127 HydrophobicContact CB-CG 4.35Å; N124-Q127 WeakPolarHBondContact ND2-CG 3.43Å; N124-Q127 PolarHBondContact O-N 2.94Å; F125-Q127 PolarHBondContact O-N 3.1Å; Q127-F129 VanDerWaalsContact C-N 3.35Å; Q127-F129 PolarHBondContact O-N 3.37Å; Q127-I130 PolarHBondContact O-N 3.29Å; Q127-R131 VanDerWaalsContact O-CB 3.29Å; Q127-R131 WeakPolarHBondContact O-CB 3.35Å; Q127-R131 PolarHBondContact O-N 2.99Å
128	T	97.2	Very high	95.7	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-49.7	173.5	-50.4	0	0	0	0	111.2	E123 N124 F125 R131 T132 L267 R268 L271	E123-T128 VanDerWaalsContact OE1-CB 3.3Å; E123-T128 WeakPolarHBondContact OE1-CB 3.5Å; E123-T128 WeakPolarHBondContact OE1-CG2 3.46Å; E123-T128 PolarHBondContact OE1-OG1 3.23Å; N124-T128 PolarHBondContact O-N 3.35Å; N124-T128 VanDerWaalsContact O-N 3.09Å; N124-T128 PolarHBondContact O-OG1 3Å; F125-T128 WeakPolarHBondContact O-CB 3.37Å; F125-T128 PolarHBondContact O-N 2.66Å; T128-R131 PolarHBondContact O-N 3.04Å; T128-T132 WeakPolarHBondContact O-CG2 3.1Å; T128-T132 PolarHBondContact O-N 2.72Å; T128-T132 PolarHBondContact O-OG1 3.42Å; T128-L267 HydrophobicContact CG2-CD2 3.84Å; T128-L267 HydrophobicContact CG2-CG 4.09Å; T128-R268 HydrophobicContact CG2-CG 4.14Å; T128-L271 HydrophobicContact CG2-CD1 3.88Å; T128-L271 WeakPolarHBondContact OG1-CD1 3.5Å
129	F	97.4	Very high	95.8	Very high	50 Å²	50	48.1 Å²	48.1	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-40.6	179.6	-62.7	-46.2	0	0	0	113	F125 H126 Q127 R131 T132 L133 L264 V290 P453	F125-F129 HydrophobicContact CB-CD2 4.42Å; F125-F129 HydrophobicContact CB-CE2 3.94Å; F125-F129 HydrophobicContact CD1-CZ 4.34Å; F125-F129 WeakPolarHBondContact O-CD2 3.39Å; F125-F129 VanDerWaalsContact O-CG 3.28Å; F125-F129 WeakPolarHBondContact O-CG 3.3Å; F125-F129 PolarHBondContact O-N 2.84Å; H126-F129 PolarHBondContact O-N 2.94Å; Q127-F129 VanDerWaalsContact C-N 3.35Å; Q127-F129 PolarHBondContact O-N 3.37Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.34Å; F129-T132 PolarHBondContact O-N 2.92Å; F129-L133 HydrophobicContact CB-CD1 4.25Å; F129-L133 HydrophobicContact CD1-CD1 4.43Å; F129-L133 VanDerWaalsContact O-CB 3.24Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 3.08Å; F129-L264 HydrophobicContact CD1-CD1 3.64Å; F129-L264 HydrophobicContact CE1-CD1 3.89Å; F129-V290 HydrophobicContact CE1-CG2 4.24Å; F129-P453 HydrophobicContact CB-CB 3.68Å; F129-P453 HydrophobicContact CB-CG 3.65Å; F129-P453 HydrophobicContact CD2-CG 4.32Å; F129-P453 HydrophobicContact CG-CG 4.15Å
130	I	96.2	Very high	96	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-45.5	176.1	-74.2	176.5	0	0	0	110.7	H126 Q127 T132 Q134	H126-I130 WeakPolarHBondContact NE2-CD1 3.44Å; H126-I130 WeakPolarHBondContact O-CG1 3.49Å; H126-I130 PolarHBondContact O-N 3.46Å; Q127-I130 PolarHBondContact O-N 3.29Å; I130-T132 PolarHBondContact O-N 3.27Å; I130-Q134 WeakPolarHBondContact O-CB 3.46Å; I130-Q134 PolarHBondContact O-N 3.25Å
131	R	96.8	Very high	96.1	Very high	165 Å²	165	47.2 Å²	47.2	62%	0.623	25%	0.249	S	C	*	.	H	α-helix	trans	-61.1	-33.8	-178.4	179.4	176.8	172	172.8	0.8	112.8	Q127 T128 F129 A137	Q127-R131 VanDerWaalsContact O-CB 3.29Å; Q127-R131 WeakPolarHBondContact O-CB 3.35Å; Q127-R131 PolarHBondContact O-N 2.99Å; T128-R131 PolarHBondContact O-N 3.04Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.34Å; R131-A137 VanDerWaalsContact O-CB 3.28Å; R131-A137 WeakPolarHBondContact O-CB 3.25Å
132	T	97.9	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-107.8	-9	-169.2	54.8	0	0	0	0	114.7	T128 F129 I130 L141 E263 L264 L267	T128-T132 WeakPolarHBondContact O-CG2 3.1Å; T128-T132 PolarHBondContact O-N 2.72Å; T128-T132 PolarHBondContact O-OG1 3.42Å; F129-T132 PolarHBondContact O-N 2.92Å; I130-T132 PolarHBondContact O-N 3.27Å; T132-L141 WeakPolarHBondContact O-CD1 3.22Å; T132-E263 HydrophobicContact CG2-CB 4.39Å; T132-E263 HydrophobicContact CG2-CG 4.01Å; T132-L264 WeakPolarHBondContact OG1-CD1 3.35Å; T132-L267 HydrophobicContact CG2-CB 4.34Å; T132-L267 HydrophobicContact CG2-CD2 3.7Å
133	L	97.6	Very high	96.2	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-121.2	5.3	178.9	-62	171.1	0	0	0	113.2	F129 L141 L264 P453	F129-L133 HydrophobicContact CB-CD1 4.25Å; F129-L133 HydrophobicContact CD1-CD1 4.43Å; F129-L133 VanDerWaalsContact O-CB 3.24Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 3.08Å; L133-L141 HydrophobicContact CD2-CD1 3.81Å; L133-L264 HydrophobicContact CD1-CD2 4.23Å; L133-L264 HydrophobicContact CD2-CD2 4Å; L133-L264 HydrophobicContact CG-CD2 4.26Å; L133-P453 HydrophobicContact CD1-CB 4.31Å; L133-P453 HydrophobicContact CD1-CG 4.29Å
134	Q	94.1	Very high	96.2	Very high	39 Å²	39	48.5 Å²	48.5	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-140.7	174.7	178.5	-55.1	178.9	27.5	0	0	109.8	I130 A137 P453 R455 L456	I130-Q134 WeakPolarHBondContact O-CB 3.46Å; I130-Q134 PolarHBondContact O-N 3.25Å; Q134-A137 PolarHBondContact O-N 3.38Å; Q134-P453 PolarHBondContact NE2-O 3.45Å; Q134-P453 VanDerWaalsContact NE2-O 3.13Å; Q134-R455 VanDerWaalsContact NE2-NH1 3.12Å; Q134-L456 HydrophobicContact CG-CD1 4.47Å
135	G	94	Very high	96.3	Very high	38 Å²	38	45 Å²	45	39%	0.392	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	60.1	-140	-178.9	0	0	0	0	0	111.6	A137 L138	G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.03Å; G135-L138 WeakPolarHBondContact O-CB 3.37Å; G135-L138 PolarHBondContact O-N 2.82Å
136	N	93.1	Very high	96.4	Very high	144 Å²	144	44.6 Å²	44.6	77%	0.77	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-71.9	-23.5	-175.2	-60.5	-5.1	0	0	0	113.2	L138 D139 P140	N136-L138 PolarHBondContact O-N 2.84Å; N136-D139 PolarHBondContact O-N 3.48Å; N136-P140 WeakPolarHBondContact O-CD 3.3Å
137	A	92.8	Very high	96.5	Very high	9 Å²	9	48.3 Å²	48.3	7%	0.074	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-70.1	-15.6	177.8	0	0	0	0	0	112.7	R131 Q134 G135 E263	R131-A137 VanDerWaalsContact O-CB 3.28Å; R131-A137 WeakPolarHBondContact O-CB 3.25Å; Q134-A137 PolarHBondContact O-N 3.38Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.03Å; A137-E263 WeakPolarHBondContact CB-OE2 3.48Å
138	L	96.1	Very high	96.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.8	-35.4	179.1	-177	59.8	0	0	0	112.5	G135 N136 L141 I142 L456 F457	G135-L138 WeakPolarHBondContact O-CB 3.37Å; G135-L138 PolarHBondContact O-N 2.82Å; N136-L138 PolarHBondContact O-N 2.84Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.18Å; L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 HydrophobicContact CD1-CG1 4.23Å; L138-I142 HydrophobicContact CD2-CD1 4.29Å; L138-I142 HydrophobicContact CG-CD1 3.79Å; L138-I142 HydrophobicContact CG-CG1 4.17Å; L138-I142 WeakPolarHBondContact O-CG1 3.48Å; L138-I142 PolarHBondContact O-N 3.16Å; L138-L456 HydrophobicContact CD2-CB 3.68Å; L138-L456 HydrophobicContact CD2-CD1 4.02Å; L138-F457 HydrophobicContact CD1-CB 3.6Å; L138-F457 HydrophobicContact CD1-CD2 4.1Å; L138-F457 HydrophobicContact CD1-CG 4.3Å
139	D	97.5	Very high	96.5	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-45.5	-173.6	-57.9	-28.7	0	0	0	112.1	N136 L141 I142 E143 R345	N136-D139 PolarHBondContact O-N 3.48Å; D139-L141 VanDerWaalsContact C-N 3.27Å; D139-L141 PolarHBondContact O-N 3.05Å; D139-I142 WeakPolarHBondContact O-CB 3.33Å; D139-I142 PolarHBondContact O-N 3Å; D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 3.47Å; D139-R345 WeakPolarHBondContact OD1-CB 3.31Å; D139-R345 VanDerWaalsContact OD1-CD 3.32Å; D139-R345 WeakPolarHBondContact OD1-CD 3.32Å
140	P	97.4	Very high	96.3	Very high	76 Å²	76	41.4 Å²	41.4	49%	0.494	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-31.8	173.8	-23.8	34.8	0	0	0	113.7	N136 A144	N136-P140 WeakPolarHBondContact O-CD 3.3Å; P140-A144 VanDerWaalsContact O-CB 3.27Å; P140-A144 WeakPolarHBondContact O-CB 3.33Å; P140-A144 PolarHBondContact O-N 3.29Å
141	L	97.6	Very high	96	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-42.9	175.1	-78.9	172.3	0	0	0	111.4	T132 L133 L138 D139 M145 T186 L187 F457	T132-L141 WeakPolarHBondContact O-CD1 3.22Å; L133-L141 HydrophobicContact CD2-CD1 3.81Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.18Å; D139-L141 VanDerWaalsContact C-N 3.27Å; D139-L141 PolarHBondContact O-N 3.05Å; L141-M145 VanDerWaalsContact O-CB 3.3Å; L141-M145 WeakPolarHBondContact O-CB 3.26Å; L141-M145 PolarHBondContact O-N 2.99Å; L141-T186 HydrophobicContact CD2-CG2 3.93Å; L141-L187 HydrophobicContact CD2-CD2 4.04Å; L141-F457 HydrophobicContact CB-CD2 3.9Å; L141-F457 HydrophobicContact CB-CE2 3.83Å; L141-F457 WeakPolarHBondContact O-CE2 3.48Å
142	I	98.1	Very high	95.7	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-48	175.1	-71.4	171.4	0	0	0	110	L138 D139 M145 M146 R345 L348 H460 Q464	L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 HydrophobicContact CD1-CG1 4.23Å; L138-I142 HydrophobicContact CD2-CD1 4.29Å; L138-I142 HydrophobicContact CG-CD1 3.79Å; L138-I142 HydrophobicContact CG-CG1 4.17Å; L138-I142 WeakPolarHBondContact O-CG1 3.48Å; L138-I142 PolarHBondContact O-N 3.16Å; D139-I142 WeakPolarHBondContact O-CB 3.33Å; D139-I142 PolarHBondContact O-N 3Å; I142-M145 PolarHBondContact O-N 2.91Å; I142-M146 PolarHBondContact O-N 3.39Å; I142-R345 HydrophobicContact CD1-CB 3.82Å; I142-R345 HydrophobicContact CD1-CG 4.02Å; I142-L348 HydrophobicContact CG2-CD1 3.53Å; I142-H460 HydrophobicContact CD1-CB 4.35Å; I142-H460 WeakPolarHBondContact CD1-ND1 3.49Å; I142-H460 HydrophobicContact CG1-CB 4.07Å; I142-Q464 VanDerWaalsContact CG2-NE2 3.28Å; I142-Q464 PolarHBondContact O-NE2 3.41Å
143	E	97.7	Very high	95.4	Very high	104 Å²	104	33.4 Å²	33.4	49%	0.486	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-51.8	179.1	-71	173.6	-175.4	0	0	111.2	D139 M145 M146 E147	D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 3.47Å; E143-M145 VanDerWaalsContact C-N 3.31Å; E143-M145 PolarHBondContact O-N 2.96Å; E143-M146 PolarHBondContact O-N 3.33Å; E143-E147 PolarHBondContact O-N 2.83Å; E143-E147 VanDerWaalsContact O-N 3.07Å
144	A	97.2	Very high	94.9	Very high	29 Å²	29	33.4 Å²	33.4	24%	0.24	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-38.1	178.9	0	0	0	0	0	112.6	P140 E147 N148 T186	P140-A144 VanDerWaalsContact O-CB 3.27Å; P140-A144 WeakPolarHBondContact O-CB 3.33Å; P140-A144 PolarHBondContact O-N 3.29Å; A144-E147 PolarHBondContact O-N 3.47Å; A144-N148 WeakPolarHBondContact O-CB 3.38Å; A144-N148 VanDerWaalsContact O-CG 3.28Å; A144-N148 PolarHBondContact O-N 3.3Å; A144-N148 PolarHBondContact O-ND2 3.31Å; A144-T186 HydrophobicContact CB-CG2 4.06Å
145	M	98.3	Very high	94	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-41.7	177.1	-172.4	55.5	177.1	0	0	112.2	L141 I142 E143 E147 N148 L149 M179 T186 F457 E461 Q464	L141-M145 VanDerWaalsContact O-CB 3.3Å; L141-M145 WeakPolarHBondContact O-CB 3.26Å; L141-M145 PolarHBondContact O-N 2.99Å; I142-M145 PolarHBondContact O-N 2.91Å; E143-M145 VanDerWaalsContact C-N 3.31Å; E143-M145 PolarHBondContact O-N 2.96Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 2.65Å; M145-N148 PolarHBondContact O-N 3.09Å; M145-L149 HydrophobicContact CE-CD1 3.96Å; M145-L149 HydrophobicContact CE-CD2 3.92Å; M145-L149 HydrophobicContact CE-CG 3.79Å; M145-L149 HydrophobicContact CG-CD1 4.03Å; M145-L149 HydrophobicContact CG-CG 4.36Å; M145-L149 WeakPolarHBondContact O-CB 3.37Å; M145-L149 WeakPolarHBondContact O-CG 3.43Å; M145-L149 PolarHBondContact O-N 3.18Å; M145-L149 HydrophobicContact SD-CD1 4.45Å; M145-L149 HydrophobicContact SD-CG 4.19Å; M145-M179 HydrophobicContact CE-CE 3.7Å; M145-M179 HydrophobicContact CE-SD 4.4Å; M145-T186 WeakPolarHBondContact CA-OG1 3.37Å; M145-T186 HydrophobicContact CB-CG2 4.1Å; M145-T186 PolarHBondContact SD-OG1 2.76Å; M145-F457 HydrophobicContact CB-CE2 3.86Å; M145-F457 HydrophobicContact CB-CZ 3.94Å; M145-F457 HydrophobicContact CG-CE2 4.29Å; M145-F457 HydrophobicContact CG-CZ 4.06Å; M145-E461 HydrophobicContact CE-CB 3.79Å; M145-E461 WeakPolarHBondContact CE-OE2 3.41Å; M145-E461 HydrophobicContact CG-CB 3.74Å; M145-E461 HydrophobicContact SD-CB 4.48Å; M145-Q464 VanDerWaalsContact CG-OE1 3.28Å
146	M	97.9	Very high	92.3	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-41.7	176.6	-175.9	56.9	95.7	0	0	111.9	I142 E143 Q150 I341 L343 Q464 L468	I142-M146 PolarHBondContact O-N 3.39Å; E143-M146 PolarHBondContact O-N 3.33Å; M146-Q150 WeakPolarHBondContact O-CG 3.38Å; M146-Q150 PolarHBondContact O-N 3.11Å; M146-Q150 PolarHBondContact O-NE2 3.28Å; M146-Q150 VanDerWaalsContact O-NE2 3.07Å; M146-I341 HydrophobicContact CE-CG2 4.29Å; M146-I341 VanDerWaalsContact CG-O 3.22Å; M146-I341 WeakPolarHBondContact CG-O 3.37Å; M146-L343 HydrophobicContact CE-CB 4.19Å; M146-L343 HydrophobicContact CE-CD1 4.21Å; M146-L343 HydrophobicContact CE-CG 4.24Å; M146-Q464 HydrophobicContact CE-CB 3.95Å; M146-Q464 HydrophobicContact CE-CG 3.62Å; M146-Q464 HydrophobicContact SD-CB 4.22Å; M146-Q464 HydrophobicContact SD-CG 4.29Å; M146-L468 HydrophobicContact SD-CD1 3.98Å; M146-L468 HydrophobicContact SD-CD2 4.11Å; M146-L468 HydrophobicContact SD-CG 4.15Å
147	E	95.4	Very high	90.8	Very high	107 Å²	107	30.8 Å²	30.8	50%	0.5	16%	0.159	S	C	.	.	H	α-helix	trans	-64.1	-48.4	175.7	-70.2	-178.1	174.2	0	0	111.6	E143 A144 M145 L149 Q150 Y151	E143-E147 PolarHBondContact O-N 2.83Å; E143-E147 VanDerWaalsContact O-N 3.07Å; A144-E147 PolarHBondContact O-N 3.47Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 2.65Å; E147-L149 PolarHBondContact O-N 3.48Å; E147-Q150 PolarHBondContact O-N 3.03Å; E147-Y151 WeakPolarHBondContact O-CB 3.38Å; E147-Y151 PolarHBondContact O-N 3.21Å
148	N	95.4	Very high	89.1	Confident	21 Å²	21	35 Å²	35	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-179.1	-73.9	-42.4	0	0	0	112.6	A144 M145 V152 S182 L185 T186	A144-N148 WeakPolarHBondContact O-CB 3.38Å; A144-N148 VanDerWaalsContact O-CG 3.28Å; A144-N148 PolarHBondContact O-N 3.3Å; A144-N148 PolarHBondContact O-ND2 3.31Å; M145-N148 PolarHBondContact O-N 3.09Å; N148-V152 WeakPolarHBondContact O-CB 3.48Å; N148-V152 WeakPolarHBondContact O-CG2 3.23Å; N148-V152 PolarHBondContact O-N 3.04Å; N148-S182 PolarHBondContact O-OG 3.07Å; N148-L185 HydrophobicContact CB-CB 4.33Å; N148-T186 WeakPolarHBondContact ND2-CA 3.37Å; N148-T186 PolarHBondContact ND2-N 3.11Å; N148-T186 PolarHBondContact ND2-OG1 3.45Å
149	L	97.1	Very high	87	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-47.3	173.2	-80.4	168	0	0	0	111.2	M145 E147 Y151 V152 M153 V178 M179 S182 Q464 F465 L468	M145-L149 HydrophobicContact CE-CD1 3.96Å; M145-L149 HydrophobicContact CE-CD2 3.92Å; M145-L149 HydrophobicContact CE-CG 3.79Å; M145-L149 HydrophobicContact CG-CD1 4.03Å; M145-L149 HydrophobicContact CG-CG 4.36Å; M145-L149 WeakPolarHBondContact O-CB 3.37Å; M145-L149 WeakPolarHBondContact O-CG 3.43Å; M145-L149 PolarHBondContact O-N 3.18Å; M145-L149 HydrophobicContact SD-CD1 4.45Å; M145-L149 HydrophobicContact SD-CG 4.19Å; E147-L149 PolarHBondContact O-N 3.48Å; L149-Y151 PolarHBondContact O-N 3.34Å; L149-V152 PolarHBondContact O-N 2.95Å; L149-M153 HydrophobicContact CB-SD 4.45Å; L149-M153 HydrophobicContact CD2-SD 4.29Å; L149-M153 VanDerWaalsContact O-CB 3.25Å; L149-M153 WeakPolarHBondContact O-CB 3.33Å; L149-M153 WeakPolarHBondContact O-CG 3.49Å; L149-M153 PolarHBondContact O-N 3.06Å; L149-V178 HydrophobicContact CD2-CG1 3.76Å; L149-M179 HydrophobicContact CD2-SD 4.16Å; L149-S182 WeakPolarHBondContact CA-OG 3.46Å; L149-Q464 HydrophobicContact CD1-CB 3.6Å; L149-F465 HydrophobicContact CD1-CB 4.35Å; L149-F465 HydrophobicContact CD2-CB 4.34Å; L149-F465 HydrophobicContact CD2-CD2 4.22Å; L149-L468 HydrophobicContact CB-CD1 3.45Å; L149-L468 VanDerWaalsContact CB-CD1 3.45Å; L149-L468 HydrophobicContact CD1-CD1 4.26Å; L149-L468 HydrophobicContact CG-CD1 4.43Å
150	Q	94.1	Very high	85.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177.7	-74.4	174.4	94.8	0	0	112.1	M146 E147 L154 Q155 N340 I341 L468	M146-Q150 WeakPolarHBondContact O-CG 3.38Å; M146-Q150 PolarHBondContact O-N 3.11Å; M146-Q150 PolarHBondContact O-NE2 3.28Å; M146-Q150 VanDerWaalsContact O-NE2 3.07Å; E147-Q150 PolarHBondContact O-N 3.03Å; Q150-L154 HydrophobicContact CB-CD1 4.42Å; Q150-L154 HydrophobicContact CG-CD1 4.45Å; Q150-L154 VanDerWaalsContact O-CB 3.28Å; Q150-L154 WeakPolarHBondContact O-CB 3.39Å; Q150-L154 PolarHBondContact O-N 2.69Å; Q150-Q155 PolarHBondContact O-N 3.48Å; Q150-N340 VanDerWaalsContact OE1-CA 3.22Å; Q150-I341 PolarHBondContact NE2-O 3.42Å; Q150-L468 HydrophobicContact CG-CD1 3.81Å; Q150-L468 HydrophobicContact CG-CD2 3.53Å; Q150-L468 HydrophobicContact CG-CG 4.34Å
151	Y	90	Very high	83.7	Confident	39 Å²	39	42.3 Å²	42.3	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-57	-51.2	173.1	174.2	-103.2	0	0	0	111.5	E147 L149 Q155 S156 L185	E147-Y151 WeakPolarHBondContact O-CB 3.38Å; E147-Y151 PolarHBondContact O-N 3.21Å; L149-Y151 PolarHBondContact O-N 3.34Å; Y151-Q155 HydrophobicContact CD2-CB 4.04Å; Y151-Q155 PolarHBondContact O-N 3.34Å; Y151-Q155 VanDerWaalsContact O-N 3.11Å; Y151-S156 PolarHBondContact O-N 2.75Å; Y151-L185 HydrophobicContact CD1-CD1 4.35Å
152	V	91.3	Very high	82.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-42.4	-176.7	172	0	0	0	0	112	N148 L149 S156 V178 E181 S182 L185	N148-V152 WeakPolarHBondContact O-CB 3.48Å; N148-V152 WeakPolarHBondContact O-CG2 3.23Å; N148-V152 PolarHBondContact O-N 3.04Å; L149-V152 PolarHBondContact O-N 2.95Å; V152-S156 PolarHBondContact O-OG 3.47Å; V152-V178 HydrophobicContact CG1-CB 4.47Å; V152-V178 HydrophobicContact CG1-CG1 4.36Å; V152-V178 HydrophobicContact CG1-CG2 4.37Å; V152-E181 HydrophobicContact CG1-CB 4.21Å; V152-E181 HydrophobicContact CG1-CG 4.33Å; V152-E181 HydrophobicContact CG2-CB 3.99Å; V152-E181 HydrophobicContact CG2-CG 3.55Å; V152-S182 WeakPolarHBondContact CG2-OG 3.27Å; V152-L185 HydrophobicContact CG2-CD1 4.39Å
153	M	91.4	Very high	81.3	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-78.3	-37.2	-175	-67.1	173.5	70	0	0	113.1	L149 L161 V178 F465 L468 I469 F473	L149-M153 HydrophobicContact CB-SD 4.45Å; L149-M153 HydrophobicContact CD2-SD 4.29Å; L149-M153 VanDerWaalsContact O-CB 3.25Å; L149-M153 WeakPolarHBondContact O-CB 3.33Å; L149-M153 WeakPolarHBondContact O-CG 3.49Å; L149-M153 PolarHBondContact O-N 3.06Å; M153-L161 VanDerWaalsContact O-CD1 3.31Å; M153-L161 WeakPolarHBondContact O-CD1 3.2Å; M153-V178 HydrophobicContact CG-CG1 3.65Å; M153-V178 HydrophobicContact CG-CG2 4.29Å; M153-V178 HydrophobicContact SD-CG1 3.97Å; M153-F465 HydrophobicContact SD-CD2 4.28Å; M153-L468 HydrophobicContact CE-CB 3.88Å; M153-L468 HydrophobicContact SD-CB 3.99Å; M153-L468 HydrophobicContact SD-CD1 3.98Å; M153-I469 HydrophobicContact CE-CD1 3.48Å; M153-I469 VanDerWaalsContact CE-CD1 3.48Å; M153-I469 HydrophobicContact CE-CG1 3.78Å; M153-F473 HydrophobicContact CB-CE2 4.49Å; M153-F473 HydrophobicContact CE-CD2 4.3Å; M153-F473 HydrophobicContact CE-CE2 3.78Å
154	L	86.6	Confident	80.4	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.084	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-54.6	-170.9	-52.6	174.8	0	0	0	112.1	Q150 T158 Y472 F473 L509	Q150-L154 HydrophobicContact CB-CD1 4.42Å; Q150-L154 HydrophobicContact CG-CD1 4.45Å; Q150-L154 VanDerWaalsContact O-CB 3.28Å; Q150-L154 WeakPolarHBondContact O-CB 3.39Å; Q150-L154 PolarHBondContact O-N 2.69Å; L154-T158 PolarHBondContact O-N 3.1Å; L154-Y472 HydrophobicContact CD1-CD1 4Å; L154-Y472 HydrophobicContact CD1-CD2 4Å; L154-Y472 HydrophobicContact CD1-CE1 3.77Å; L154-Y472 HydrophobicContact CD1-CE2 3.76Å; L154-Y472 HydrophobicContact CD1-CG 4.12Å; L154-Y472 HydrophobicContact CD2-CD1 3.96Å; L154-Y472 HydrophobicContact CD2-CD2 4.26Å; L154-Y472 HydrophobicContact CD2-CG 3.8Å; L154-F473 HydrophobicContact CD2-CE2 4.05Å; L154-F473 HydrophobicContact CD2-CZ 3.91Å; L154-L509 HydrophobicContact CD2-CD2 4.07Å
155	Q	74.4	Confident	80	Confident	96 Å²	96	51.6 Å²	51.6	45%	0.449	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-82.9	-34.7	-166.6	-59.8	-178.2	-0.3	0	0	113.2	Q150 Y151 R157 T158	Q150-Q155 PolarHBondContact O-N 3.48Å; Y151-Q155 HydrophobicContact CD2-CB 4.04Å; Y151-Q155 PolarHBondContact O-N 3.34Å; Y151-Q155 VanDerWaalsContact O-N 3.11Å; Q155-R157 PolarHBondContact O-N 3.47Å; Q155-T158 PolarHBondContact O-OG1 2.86Å
156	S	59.9	Low	79.7	Confident	19 Å²	19	54.7 Å²	54.7	13%	0.133	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.9	-7.9	178.9	84.9	0	0	0	0	113.4	Y151 V152 R207	Y151-S156 PolarHBondContact O-N 2.75Å; V152-S156 PolarHBondContact O-OG 3.47Å; S156-R207 PolarHBondContact O-NH1 2.84Å; S156-R207 PolarHBondContact OG-NH2 3.21Å
157	R	61.6	Low	79.5	Confident	50 Å²	50	56.5 Å²	56.5	19%	0.189	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-137.8	13.1	-171.2	-70	-170.8	173.1	-154.6	-3.2	114.3	Q155 S159 K160 L161 E169 Y507	Q155-R157 PolarHBondContact O-N 3.47Å; R157-S159 PolarHBondContact O-N 3.45Å; R157-K160 WeakPolarHBondContact O-CA 3.19Å; R157-K160 PolarHBondContact O-N 3.07Å; R157-L161 HydrophobicContact CB-CD1 3.66Å; R157-L161 HydrophobicContact CB-CG 4.01Å; R157-L161 PolarHBondContact O-N 3.02Å; R157-E169 IonicContact NH1-OE2 2.75Å; R157-Y507 PolarHBondContact NH1-OH 3.01Å
158	T	55.6	Low	79.5	Confident	99 Å²	99	55.5 Å²	55.5	61%	0.607	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29	-177.8	16	0	0	0	0	113.7	L154 Q155 K160	L154-T158 PolarHBondContact O-N 3.1Å; Q155-T158 PolarHBondContact O-OG1 2.86Å; T158-K160 VanDerWaalsContact C-N 3.31Å; T158-K160 PolarHBondContact O-N 3.04Å
159	S	51.9	Low	79.6	Confident	111 Å²	111	56.5 Å²	56.5	78%	0.776	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.2	174.4	58.4	0	0	0	0	114.7	R157	R157-S159 PolarHBondContact O-N 3.45Å
160	K	57.4	Low	79.6	Confident	160 Å²	160	57 Å²	57	70%	0.696	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-19.6	-178.4	-68.1	-173.8	179.2	-178.1	0	114.2	R157 T158	R157-K160 WeakPolarHBondContact O-CA 3.19Å; R157-K160 PolarHBondContact O-N 3.07Å; T158-K160 VanDerWaalsContact C-N 3.31Å; T158-K160 PolarHBondContact O-N 3.04Å
161	L	68.6	Low	79.8	Confident	14 Å²	14	57 Å²	57	7%	0.073	30%	0.3	C	S	.	.			trans	-97.2	109	-179.3	-68.8	168.4	0	0	0	109.7	M153 R157 V167 F473 Y507 L509	M153-L161 VanDerWaalsContact O-CD1 3.31Å; M153-L161 WeakPolarHBondContact O-CD1 3.2Å; R157-L161 HydrophobicContact CB-CD1 3.66Å; R157-L161 HydrophobicContact CB-CG 4.01Å; R157-L161 PolarHBondContact O-N 3.02Å; L161-V167 HydrophobicContact CD2-CG2 4.4Å; L161-F473 HydrophobicContact CD2-CE1 4.42Å; L161-Y507 HydrophobicContact CD2-CD2 4.48Å; L161-Y507 HydrophobicContact CD2-CE2 3.84Å; L161-L509 HydrophobicContact CB-CD1 3.7Å; L161-L509 HydrophobicContact CB-CG 4.14Å
162	Q	70	Confident	80.2	Confident	104 Å²	104	56.8 Å²	56.8	49%	0.486	30%	0.3	S	S	.	.			trans	-117.2	141.5	172	-64.1	-172.9	0.7	0	0	109.2	N164 I165	Q162-N164 PolarHBondContact O-N 2.86Å; Q162-I165 HydrophobicContact CB-CB 4.39Å; Q162-I165 HydrophobicContact CB-CD1 4.1Å; Q162-I165 HydrophobicContact CB-CG1 4.12Å; Q162-I165 HydrophobicContact CG-CD1 4.31Å; Q162-I165 PolarHBondContact O-N 3.49Å; Q162-I165 VanDerWaalsContact OE1-CD1 3.28Å
163	P	75.6	Confident	80.6	Confident	41 Å²	41	58.6 Å²	58.6	27%	0.266	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.9	-179.4	-27.3	34.6	0	0	0	114.8	R508 L509 F511	P163-R508 WeakPolarHBondContact O-CD 3.37Å; P163-L509 WeakPolarHBondContact CA-O 3.45Å; P163-L509 HydrophobicContact CG-CB 4.35Å; P163-F511 HydrophobicContact CB-CD1 4.12Å; P163-F511 HydrophobicContact CB-CE1 4.12Å
164	N	78.9	Confident	80.9	Confident	108 Å²	108	58.4 Å²	58.4	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.1	-178	-74.9	-35.2	0	0	0	115.3	Q162 F511	Q162-N164 PolarHBondContact O-N 2.86Å; N164-F511 WeakPolarHBondContact OD1-CZ 3.42Å
165	I	88.4	Confident	81.4	Confident	86 Å²	86	57.7 Å²	57.7	44%	0.441	31%	0.309	S	S	.	.			trans	-114.9	113.1	-171.7	-58.3	-179.6	0	0	0	109.6	Q162 V167 R508	Q162-I165 HydrophobicContact CB-CB 4.39Å; Q162-I165 HydrophobicContact CB-CD1 4.1Å; Q162-I165 HydrophobicContact CB-CG1 4.12Å; Q162-I165 HydrophobicContact CG-CD1 4.31Å; Q162-I165 PolarHBondContact O-N 3.49Å; Q162-I165 VanDerWaalsContact OE1-CD1 3.28Å; I165-V167 PolarHBondContact O-N 2.8Å; I165-R508 WeakPolarHBondContact O-CB 3.36Å
166	W	93.1	Very high	82.6	Confident	66 Å²	66	53.4 Å²	53.4	25%	0.25	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-68	127.4	168.9	-73.5	102.8	0	0	0	110.5	E474 E476 R506 Y507 R508	W166-E474 HydrophobicContact CH2-CB 3.75Å; W166-E474 HydrophobicContact CZ2-CB 4.37Å; W166-E474 HydrophobicContact CZ3-CB 4.41Å; W166-E474 WeakPolarHBondContact CZ3-O 3.33Å; W166-E476 HydrophobicContact CH2-CG 3.79Å; W166-E476 WeakPolarHBondContact CH2-OE1 3.28Å; W166-E476 HydrophobicContact CZ2-CG 4.49Å; W166-E476 VanDerWaalsContact CZ2-OE1 3.27Å; W166-E476 WeakPolarHBondContact CZ2-OE1 3.38Å; W166-E476 HydrophobicContact CZ3-CG 4.32Å; W166-R506 HydrophobicContact CD2-CB 4.46Å; W166-R506 HydrophobicContact CD2-CG 4.12Å; W166-R506 HydrophobicContact CE3-CB 3.73Å; W166-R506 HydrophobicContact CE3-CG 3.5Å; W166-R506 HydrophobicContact CZ3-CB 4.34Å; W166-R506 HydrophobicContact CZ3-CG 3.8Å; W166-R506 WeakPolarHBondContact CZ3-O 3.48Å; W166-Y507 VanDerWaalsContact CE3-C 3.49Å; W166-R508 HydrophobicContact CD2-CB 4.21Å; W166-R508 HydrophobicContact CD2-CG 3.94Å; W166-R508 VanDerWaalsContact CE2-CD 3.45Å; W166-R508 HydrophobicContact CE3-CB 4.12Å; W166-R508 HydrophobicContact CE3-CG 3.96Å; W166-R508 HydrophobicContact CH2-CG 4.07Å; W166-R508 HydrophobicContact CZ2-CG 4.02Å; W166-R508 HydrophobicContact CZ3-CG 4.04Å
167	V	93.5	Very high	84.3	Confident	41 Å²	41	53.4 Å²	53.4	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128	169.1	-178.5	0	0	0	0	107.7	L161 I165 R506 Y507	L161-V167 HydrophobicContact CD2-CG2 4.4Å; I165-V167 PolarHBondContact O-N 2.8Å; V167-R506 CarbonylContact O-C 3.6Å; V167-R506 WeakPolarHBondContact O-CA 3.43Å; V167-Y507 HydrophobicContact CB-CD1 4.48Å; V167-Y507 HydrophobicContact CB-CE1 4.07Å; V167-Y507 HydrophobicContact CB-CE2 4.31Å; V167-Y507 HydrophobicContact CG1-CE1 3.96Å; V167-Y507 PolarHBondContact N-O 3.34Å; V167-Y507 PolarHBondContact O-N 3.11Å
168	T	95.7	Very high	86	Confident	86 Å²	86	51 Å²	51	53%	0.528	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.4	174	-55.9	0	0	0	0	109.3	V478 D504 F505	T168-V478 HydrophobicContact CG2-CG2 3.74Å; T168-D504 HydrophobicContact CG2-CB 4.49Å; T168-F505 WeakPolarHBondContact CA-O 3.23Å
169	E	95.8	Very high	88	Confident	42 Å²	42	46.3 Å²	46.3	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.2	178.7	-167.9	173.4	175	0	0	108.4	R157 F174 R177 F505 Y507	R157-E169 IonicContact NH1-OE2 2.75Å; E169-F174 HydrophobicContact CG-CB 4.4Å; E169-R177 IonicContact OE1-CZ 3.8Å; E169-R177 IonicContact OE1-NE 3.98Å; E169-R177 PolarHBondContact OE1-NE 2.9Å; E169-R177 VanDerWaalsContact OE1-NE 3.15Å; E169-R177 IonicContact OE1-NH2 2.79Å; E169-R177 PolarHBondContact OE1-NH2 3.09Å; E169-R177 IonicContact OE2-CZ 2.82Å; E169-R177 IonicContact OE2-NE 3.23Å; E169-R177 IonicContact OE2-NH2 3.65Å; E169-R177 PolarHBondContact OE2-NH2 3.29Å; E169-F505 HydrophobicContact CB-CE1 4.35Å; E169-F505 PolarHBondContact N-O 3.38Å; E169-F505 VanDerWaalsContact O-CD1 3.27Å; E169-F505 WeakPolarHBondContact O-CD1 3.42Å; E169-F505 PolarHBondContact O-N 3.07Å; E169-Y507 HydrophobicContact CB-CE1 4.19Å; E169-Y507 PolarHBondContact OE2-OH 3.18Å
170	G	98.2	Very high	90.2	Very high	11 Å²	11	41 Å²	41	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.3	166.3	0	0	0	0	0	110.3	A173 F174 D502	G170-A173 PolarHBondContact O-N 3.01Å; G170-F174 WeakPolarHBondContact O-CB 3.34Å; G170-F174 PolarHBondContact O-N 3.48Å; G170-D502 VanDerWaalsContact CA-OD2 3.3Å; G170-D502 WeakPolarHBondContact CA-OD2 3.28Å
171	L	98.6	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-43.1	-175.7	-178.8	62	0	0	0	112.2	F174 C175 F303 L306 F307 I310 D502 V503 F505	L171-F174 PolarHBondContact O-N 3.33Å; L171-C175 PolarHBondContact O-N 3.4Å; L171-C175 PolarHBondContact O-SG 2.83Å; L171-C175 VanDerWaalsContact O-SG 3.39Å; L171-F303 HydrophobicContact CB-CD2 4.31Å; L171-F303 HydrophobicContact CB-CE2 4.06Å; L171-F303 HydrophobicContact CD2-CD2 4.12Å; L171-F303 HydrophobicContact CD2-CE2 3.87Å; L171-F303 HydrophobicContact CG-CD2 3.87Å; L171-F303 HydrophobicContact CG-CE2 3.92Å; L171-L306 HydrophobicContact CD1-CD2 3.49Å; L171-L306 VanDerWaalsContact CD1-CD2 3.49Å; L171-L306 HydrophobicContact CD1-CG 3.94Å; L171-F307 HydrophobicContact CD2-CB 3.79Å; L171-F307 HydrophobicContact CD2-CD2 4.01Å; L171-F307 HydrophobicContact CD2-CG 4.42Å; L171-I310 HydrophobicContact CD1-CD1 4.35Å; L171-I310 HydrophobicContact CD2-CD1 4.48Å; L171-D502 PolarHBondContact N-OD1 3.43Å; L171-V503 WeakPolarHBondContact CB-O 3.49Å; L171-V503 PolarHBondContact N-O 3.07Å; L171-F505 HydrophobicContact CB-CB 4.48Å; L171-F505 HydrophobicContact CB-CD1 3.86Å; L171-F505 HydrophobicContact CB-CE1 4.45Å; L171-F505 HydrophobicContact CB-CG 4.3Å; L171-F505 HydrophobicContact CD1-CD1 3.8Å; L171-F505 HydrophobicContact CD1-CD2 3.99Å; L171-F505 HydrophobicContact CD1-CE1 3.95Å; L171-F505 HydrophobicContact CD1-CE2 4.09Å; L171-F505 HydrophobicContact CD1-CG 3.84Å; L171-F505 HydrophobicContact CD1-CZ 4.08Å; L171-F505 HydrophobicContact CG-CD1 4.46Å
172	Y	98.6	Very high	93.5	Very high	35 Å²	35	33 Å²	33	14%	0.137	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-43.3	175.2	-171.9	-108.3	0	0	0	110.7	F174 C175 C176 I299 P300 F303 Q498 P499 D502	Y172-F174 VanDerWaalsContact C-N 3.31Å; Y172-F174 PolarHBondContact O-N 3.2Å; Y172-C175 PolarHBondContact O-N 2.88Å; Y172-C176 WeakPolarHBondContact CE1-SG 3.22Å; Y172-C176 WeakPolarHBondContact O-CB 3.46Å; Y172-C176 PolarHBondContact O-N 2.94Å; Y172-C176 PolarHBondContact O-SG 2.71Å; Y172-C176 VanDerWaalsContact O-SG 3.34Å; Y172-I299 HydrophobicContact CE2-CG2 3.95Å; Y172-P300 HydrophobicContact CE2-CB 4.17Å; Y172-F303 HydrophobicContact CD2-CB 3.7Å; Y172-F303 HydrophobicContact CD2-CD1 4.19Å; Y172-F303 AromaticContact CD2-CD2 3.89Å; Y172-F303 HydrophobicContact CD2-CD2 3.89Å; Y172-F303 AromaticContact CD2-CG 3.64Å; Y172-F303 HydrophobicContact CD2-CG 3.64Å; Y172-F303 HydrophobicContact CE2-CB 4.3Å; Y172-F303 HydrophobicContact CG-CD2 4.31Å; Y172-F303 HydrophobicContact CG-CG 4.48Å; Y172-Q498 VanDerWaalsContact OH-CG 3.26Å; Y172-Q498 WeakPolarHBondContact OH-CG 3.22Å; Y172-Q498 PolarHBondContact OH-OE1 2.74Å; Y172-P499 HydrophobicContact CD2-CG 3.76Å; Y172-P499 HydrophobicContact CE2-CG 4.3Å; Y172-P499 HydrophobicContact CG-CG 3.9Å; Y172-D502 VanDerWaalsContact CB-OD1 3.26Å; Y172-D502 WeakPolarHBondContact CB-OD1 3.48Å; Y172-D502 PolarHBondContact N-OD1 3.04Å; Y172-D502 PolarHBondContact N-OD2 3.33Å
173	A	98	Very high	94.9	Very high	37 Å²	37	28 Å²	28	31%	0.306	15%	0.154	S	C	.	.	H	α-helix	trans	-58.8	-41.1	174.2	0	0	0	0	0	112.6	G170 C176 R177 D502	G170-A173 PolarHBondContact O-N 3.01Å; A173-C176 WeakPolarHBondContact O-CB 3.48Å; A173-C176 PolarHBondContact O-N 3.15Å; A173-R177 WeakPolarHBondContact O-CB 3.48Å; A173-R177 PolarHBondContact O-N 2.84Å; A173-D502 WeakPolarHBondContact CB-OD2 3.15Å; A173-D502 PolarHBondContact N-OD2 3.31Å
174	F	97.7	Very high	95.9	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.022	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-50.2	174.4	175.8	-89.8	0	0	0	111.4	E169 G170 L171 Y172 R177 V178 F465 I469 F505 Y507	E169-F174 HydrophobicContact CG-CB 4.4Å; G170-F174 WeakPolarHBondContact O-CB 3.34Å; G170-F174 PolarHBondContact O-N 3.48Å; L171-F174 PolarHBondContact O-N 3.33Å; Y172-F174 VanDerWaalsContact C-N 3.31Å; Y172-F174 PolarHBondContact O-N 3.2Å; F174-R177 PolarHBondContact O-N 3.12Å; F174-V178 HydrophobicContact CD1-CG2 4.46Å; F174-V178 HydrophobicContact CD2-CG2 4.48Å; F174-V178 HydrophobicContact CE1-CG2 4.11Å; F174-V178 HydrophobicContact CE2-CG2 4.13Å; F174-V178 HydrophobicContact CZ-CG2 3.93Å; F174-V178 WeakPolarHBondContact O-CG2 3.08Å; F174-V178 PolarHBondContact O-N 3.48Å; F174-F465 HydrophobicContact CD1-CE2 4.46Å; F174-F465 HydrophobicContact CD1-CZ 4.19Å; F174-F465 AromaticContact CE1-CE2 3.78Å; F174-F465 HydrophobicContact CE1-CE2 3.78Å; F174-F465 AromaticContact CE1-CZ 3.68Å; F174-F465 HydrophobicContact CE1-CZ 3.68Å; F174-I469 HydrophobicContact CE1-CD1 3.81Å; F174-I469 HydrophobicContact CZ-CD1 3.88Å; F174-F505 HydrophobicContact CB-CE1 3.68Å; F174-F505 HydrophobicContact CB-CZ 4Å; F174-F505 HydrophobicContact CD1-CE1 4.35Å; F174-F505 AromaticContact CD1-CZ 3.83Å; F174-F505 HydrophobicContact CD1-CZ 3.83Å; F174-F505 HydrophobicContact CD2-CE1 4.2Å; F174-F505 AromaticContact CD2-CZ 3.83Å; F174-F505 HydrophobicContact CD2-CZ 3.83Å; F174-F505 HydrophobicContact CE1-CZ 4.26Å; F174-F505 HydrophobicContact CE2-CZ 4.27Å; F174-F505 AromaticContact CG-CE1 3.84Å; F174-F505 HydrophobicContact CG-CE1 3.84Å; F174-F505 AromaticContact CG-CZ 3.62Å; F174-F505 HydrophobicContact CG-CZ 3.62Å; F174-F505 HydrophobicContact CZ-CZ 4.48Å; F174-Y507 HydrophobicContact CD2-CD1 4.43Å; F174-Y507 AromaticContact CD2-CE1 3.8Å; F174-Y507 HydrophobicContact CD2-CE1 3.8Å; F174-Y507 AromaticContact CD2-CZ 3.95Å; F174-Y507 HydrophobicContact CE2-CD1 4.41Å; F174-Y507 AromaticContact CE2-CE1 3.93Å; F174-Y507 HydrophobicContact CE2-CE1 3.93Å; F174-Y507 HydrophobicContact CE2-CE2 4.04Å; F174-Y507 AromaticContact CE2-CZ 3.73Å
175	C	98.6	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-44.1	176.7	-71.3	0	0	0	0	112.2	L171 Y172 R177 M179 F303	L171-C175 PolarHBondContact O-N 3.4Å; L171-C175 PolarHBondContact O-SG 2.83Å; L171-C175 VanDerWaalsContact O-SG 3.39Å; Y172-C175 PolarHBondContact O-N 2.88Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 3.02Å; C175-M179 VanDerWaalsContact O-CB 3.29Å; C175-M179 WeakPolarHBondContact O-CB 3.26Å; C175-M179 WeakPolarHBondContact O-CG 3.31Å; C175-M179 PolarHBondContact O-N 3.37Å; C175-F303 HydrophobicContact CB-CB 4.28Å
176	C	98.1	Very high	97.2	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-53.2	-50.5	174.6	-79.3	0	0	0	0	110.9	Y172 A173 F180 I299	Y172-C176 WeakPolarHBondContact CE1-SG 3.22Å; Y172-C176 WeakPolarHBondContact O-CB 3.46Å; Y172-C176 PolarHBondContact O-N 2.94Å; Y172-C176 PolarHBondContact O-SG 2.71Å; Y172-C176 VanDerWaalsContact O-SG 3.34Å; A173-C176 WeakPolarHBondContact O-CB 3.48Å; A173-C176 PolarHBondContact O-N 3.15Å; C176-F180 WeakPolarHBondContact O-CB 3.24Å; C176-F180 PolarHBondContact O-N 2.94Å; C176-F180 VanDerWaalsContact O-N 3.07Å; C176-I299 HydrophobicContact CB-CG2 4.26Å; C176-I299 VanDerWaalsContact SG-CG2 3.52Å
177	R	95.9	Very high	97.5	Very high	19 Å²	19	14.9 Å²	14.9	7%	0.072	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-51.2	-175.4	-179.1	175.9	51.8	65.7	-0.9	111.8	E169 A173 F174 C175 E181 L214	E169-R177 IonicContact OE1-CZ 3.8Å; E169-R177 IonicContact OE1-NE 3.98Å; E169-R177 PolarHBondContact OE1-NE 2.9Å; E169-R177 VanDerWaalsContact OE1-NE 3.15Å; E169-R177 IonicContact OE1-NH2 2.79Å; E169-R177 PolarHBondContact OE1-NH2 3.09Å; E169-R177 IonicContact OE2-CZ 2.82Å; E169-R177 IonicContact OE2-NE 3.23Å; E169-R177 IonicContact OE2-NH2 3.65Å; E169-R177 PolarHBondContact OE2-NH2 3.29Å; A173-R177 WeakPolarHBondContact O-CB 3.48Å; A173-R177 PolarHBondContact O-N 2.84Å; F174-R177 PolarHBondContact O-N 3.12Å; C175-R177 VanDerWaalsContact C-N 3.31Å; C175-R177 PolarHBondContact O-N 3.02Å; R177-E181 VanDerWaalsContact O-CB 3.25Å; R177-E181 WeakPolarHBondContact O-CB 3.33Å; R177-E181 PolarHBondContact O-N 3.29Å; R177-E181 VanDerWaalsContact O-N 3.1Å; R177-L214 HydrophobicContact CB-CD2 4.36Å
178	V	97.4	Very high	97.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-52.8	-176.3	175.3	0	0	0	0	110.8	L149 V152 M153 F174 F180 S182 F465	L149-V178 HydrophobicContact CD2-CG1 3.76Å; V152-V178 HydrophobicContact CG1-CB 4.47Å; V152-V178 HydrophobicContact CG1-CG1 4.36Å; V152-V178 HydrophobicContact CG1-CG2 4.37Å; M153-V178 HydrophobicContact CG-CG1 3.65Å; M153-V178 HydrophobicContact CG-CG2 4.29Å; M153-V178 HydrophobicContact SD-CG1 3.97Å; F174-V178 HydrophobicContact CD1-CG2 4.46Å; F174-V178 HydrophobicContact CD2-CG2 4.48Å; F174-V178 HydrophobicContact CE1-CG2 4.11Å; F174-V178 HydrophobicContact CE2-CG2 4.13Å; F174-V178 HydrophobicContact CZ-CG2 3.93Å; F174-V178 WeakPolarHBondContact O-CG2 3.08Å; F174-V178 PolarHBondContact O-N 3.48Å; V178-F180 PolarHBondContact O-N 3.14Å; V178-S182 WeakPolarHBondContact O-CB 3.48Å; V178-S182 PolarHBondContact O-N 2.92Å; V178-S182 PolarHBondContact O-OG 3.43Å; V178-S182 VanDerWaalsContact O-OG 3.1Å; V178-F465 HydrophobicContact CB-CE2 4.13Å; V178-F465 HydrophobicContact CG1-CD2 3.83Å; V178-F465 HydrophobicContact CG1-CE2 3.81Å
179	M	98.6	Very high	97.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.8	-37.1	-175.7	-62.3	-55.8	-63.8	0	0	112.4	M145 L149 C175 G183 Q295 T298 I299 T302 E461 F465	M145-M179 HydrophobicContact CE-CE 3.7Å; M145-M179 HydrophobicContact CE-SD 4.4Å; L149-M179 HydrophobicContact CD2-SD 4.16Å; C175-M179 VanDerWaalsContact O-CB 3.29Å; C175-M179 WeakPolarHBondContact O-CB 3.26Å; C175-M179 WeakPolarHBondContact O-CG 3.31Å; C175-M179 PolarHBondContact O-N 3.37Å; M179-G183 PolarHBondContact O-N 3.37Å; M179-Q295 PolarHBondContact O-OE1 2.94Å; M179-T298 HydrophobicContact CE-CG2 3.49Å; M179-T298 VanDerWaalsContact CE-CG2 3.49Å; M179-I299 HydrophobicContact CB-CG1 4.1Å; M179-T302 HydrophobicContact CG-CG2 3.81Å; M179-T302 HydrophobicContact SD-CG2 3.93Å; M179-E461 HydrophobicContact CE-CB 4.16Å; M179-E461 HydrophobicContact CE-CG 3.87Å; M179-F465 HydrophobicContact SD-CB 3.86Å; M179-F465 HydrophobicContact SD-CD2 3.63Å; M179-F465 HydrophobicContact SD-CE2 4.37Å; M179-F465 HydrophobicContact SD-CG 3.85Å
180	F	98.6	Very high	97.4	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-67.2	-48.7	177.4	-174.2	-88.2	0	0	0	111.9	C176 V178 F184 I210 A213 L214 F217 L291 Q295 I299	C176-F180 WeakPolarHBondContact O-CB 3.24Å; C176-F180 PolarHBondContact O-N 2.94Å; C176-F180 VanDerWaalsContact O-N 3.07Å; V178-F180 PolarHBondContact O-N 3.14Å; F180-F184 HydrophobicContact CE1-CB 4.47Å; F180-F184 HydrophobicContact CE1-CD2 4.33Å; F180-F184 HydrophobicContact CZ-CD2 4.33Å; F180-F184 WeakPolarHBondContact O-CB 3.37Å; F180-F184 PolarHBondContact O-N 2.71Å; F180-I210 HydrophobicContact CD1-CG2 4.25Å; F180-I210 HydrophobicContact CE1-CG2 4.28Å; F180-A213 HydrophobicContact CE1-CB 4.07Å; F180-A213 HydrophobicContact CZ-CB 4.22Å; F180-L214 HydrophobicContact CB-CD1 3.72Å; F180-L214 HydrophobicContact CD1-CB 3.65Å; F180-L214 HydrophobicContact CD1-CD1 3.93Å; F180-L214 HydrophobicContact CD1-CG 4.3Å; F180-L214 HydrophobicContact CD2-CD1 3.94Å; F180-L214 VanDerWaalsContact CE1-CA 3.48Å; F180-L214 HydrophobicContact CE1-CB 3.77Å; F180-L214 HydrophobicContact CG-CB 4.24Å; F180-L214 HydrophobicContact CG-CD1 3.59Å; F180-L214 HydrophobicContact CG-CG 4.44Å; F180-L214 HydrophobicContact CZ-CB 4.44Å; F180-F217 HydrophobicContact CD2-CB 4.41Å; F180-F217 AromaticContact CD2-CD1 3.89Å; F180-F217 HydrophobicContact CD2-CD1 3.89Å; F180-F217 HydrophobicContact CD2-CE1 4.42Å; F180-F217 HydrophobicContact CD2-CG 4.11Å; F180-F217 HydrophobicContact CE2-CB 3.51Å; F180-F217 AromaticContact CE2-CD1 3.7Å; F180-F217 HydrophobicContact CE2-CD1 3.7Å; F180-F217 AromaticContact CE2-CD2 3.98Å; F180-F217 HydrophobicContact CE2-CD2 3.98Å; F180-F217 HydrophobicContact CE2-CE1 4.46Å; F180-F217 AromaticContact CE2-CG 3.43Å; F180-F217 HydrophobicContact CE2-CG 3.43Å; F180-F217 VanDerWaalsContact CE2-CG 3.43Å; F180-F217 HydrophobicContact CZ-CB 3.84Å; F180-F217 HydrophobicContact CZ-CG 4.25Å; F180-L291 HydrophobicContact CE2-CD1 4Å; F180-L291 HydrophobicContact CE2-CD2 4.49Å; F180-L291 HydrophobicContact CE2-CG 4.48Å; F180-L291 HydrophobicContact CZ-CD1 4.24Å; F180-L291 HydrophobicContact CZ-CD2 4.38Å; F180-Q295 HydrophobicContact CD2-CB 4.26Å; F180-Q295 HydrophobicContact CD2-CG 3.85Å; F180-Q295 HydrophobicContact CE2-CG 4.19Å; F180-I299 HydrophobicContact CB-CD1 4.27Å; F180-I299 HydrophobicContact CD2-CD1 4.46Å
181	E	97	Very high	96.6	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.019	5%	0.052	C	C	.	.	H	α-helix	trans	-62.1	-50	-179.6	-171.5	173.2	171.7	0	0	110.4	V152 R177 F184 L185 I210	V152-E181 HydrophobicContact CG1-CB 4.21Å; V152-E181 HydrophobicContact CG1-CG 4.33Å; V152-E181 HydrophobicContact CG2-CB 3.99Å; V152-E181 HydrophobicContact CG2-CG 3.55Å; R177-E181 VanDerWaalsContact O-CB 3.25Å; R177-E181 WeakPolarHBondContact O-CB 3.33Å; R177-E181 PolarHBondContact O-N 3.29Å; R177-E181 VanDerWaalsContact O-N 3.1Å; E181-F184 PolarHBondContact O-N 3.32Å; E181-L185 HydrophobicContact CG-CD1 4.3Å; E181-L185 WeakPolarHBondContact O-CB 3.48Å; E181-L185 VanDerWaalsContact O-CG 3.24Å; E181-L185 WeakPolarHBondContact O-CG 3.42Å; E181-L185 PolarHBondContact O-N 3.38Å; E181-I210 HydrophobicContact CB-CG2 4.04Å; E181-I210 HydrophobicContact CG-CD1 4.29Å; E181-I210 HydrophobicContact CG-CG2 3.84Å
182	S	97.6	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-42.6	-179.9	-58.9	0	0	0	0	113	N148 L149 V152 V178 T186	N148-S182 PolarHBondContact O-OG 3.07Å; L149-S182 WeakPolarHBondContact CA-OG 3.46Å; V152-S182 WeakPolarHBondContact CG2-OG 3.27Å; V178-S182 WeakPolarHBondContact O-CB 3.48Å; V178-S182 PolarHBondContact O-N 2.92Å; V178-S182 PolarHBondContact O-OG 3.43Å; V178-S182 VanDerWaalsContact O-OG 3.1Å; S182-T186 VanDerWaalsContact O-CB 3.31Å; S182-T186 WeakPolarHBondContact O-CB 3.42Å; S182-T186 PolarHBondContact O-N 3.24Å; S182-T186 PolarHBondContact O-OG1 2.94Å
183	G	98.3	Very high	93.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-72	-32.5	178.2	0	0	0	0	0	113.1	M179 T186 L187	M179-G183 PolarHBondContact O-N 3.37Å; G183-T186 PolarHBondContact O-N 3.3Å; G183-L187 WeakPolarHBondContact O-CG 3.41Å; G183-L187 PolarHBondContact O-N 2.93Å; G183-L187 VanDerWaalsContact O-N 3.09Å
184	F	97.9	Very high	91.7	Very high	12 Å²	12	14.9 Å²	14.9	5%	0.053	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-49.5	172.7	-174.7	-83.6	0	0	0	110.5	F180 E181 T186 L187 F188 I210 L250 L291	F180-F184 HydrophobicContact CE1-CB 4.47Å; F180-F184 HydrophobicContact CE1-CD2 4.33Å; F180-F184 HydrophobicContact CZ-CD2 4.33Å; F180-F184 WeakPolarHBondContact O-CB 3.37Å; F180-F184 PolarHBondContact O-N 2.71Å; E181-F184 PolarHBondContact O-N 3.32Å; F184-T186 VanDerWaalsContact C-N 3.31Å; F184-T186 PolarHBondContact O-N 3.11Å; F184-L187 PolarHBondContact O-N 3.07Å; F184-F188 HydrophobicContact CD1-CB 4.42Å; F184-F188 AromaticContact CD2-CD2 3.94Å; F184-F188 HydrophobicContact CD2-CD2 3.94Å; F184-F188 HydrophobicContact CE1-CB 4.16Å; F184-F188 HydrophobicContact CE2-CD2 4.11Å; F184-F188 HydrophobicContact CE2-CG 4.46Å; F184-F188 HydrophobicContact CG-CD2 4.28Å; F184-F188 HydrophobicContact CZ-CB 4.22Å; F184-F188 WeakPolarHBondContact O-CA 3.35Å; F184-F188 WeakPolarHBondContact O-CB 3.29Å; F184-F188 PolarHBondContact O-N 3.22Å; F184-I210 HydrophobicContact CD1-CG1 4.2Å; F184-I210 HydrophobicContact CE1-CG1 4.42Å; F184-L250 HydrophobicContact CE2-CD2 4.15Å; F184-L250 HydrophobicContact CZ-CD2 4.19Å; F184-L291 HydrophobicContact CD2-CD1 3.86Å
185	L	96.8	Very high	89.5	Confident	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-38.7	177.6	-68.7	174.6	0	0	0	112.2	N148 Y151 V152 E181 G189 T190 I210	N148-L185 HydrophobicContact CB-CB 4.33Å; Y151-L185 HydrophobicContact CD1-CD1 4.35Å; V152-L185 HydrophobicContact CG2-CD1 4.39Å; E181-L185 HydrophobicContact CG-CD1 4.3Å; E181-L185 WeakPolarHBondContact O-CB 3.48Å; E181-L185 VanDerWaalsContact O-CG 3.24Å; E181-L185 WeakPolarHBondContact O-CG 3.42Å; E181-L185 PolarHBondContact O-N 3.38Å; L185-G189 CarbonylContact O-C 3.6Å; L185-G189 WeakPolarHBondContact O-CA 3.39Å; L185-G189 PolarHBondContact O-N 2.76Å; L185-T190 HydrophobicContact CD2-CG2 3.81Å; L185-I210 HydrophobicContact CD1-CD1 4.35Å; L185-I210 HydrophobicContact CD2-CD1 3.54Å; L185-I210 HydrophobicContact CG-CD1 3.96Å
186	T	98.1	Very high	87.1	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-39.6	180	-60.9	0	0	0	0	112.5	L141 A144 M145 N148 S182 G183 F184 F457	L141-T186 HydrophobicContact CD2-CG2 3.93Å; A144-T186 HydrophobicContact CB-CG2 4.06Å; M145-T186 WeakPolarHBondContact CA-OG1 3.37Å; M145-T186 HydrophobicContact CB-CG2 4.1Å; M145-T186 PolarHBondContact SD-OG1 2.76Å; N148-T186 WeakPolarHBondContact ND2-CA 3.37Å; N148-T186 PolarHBondContact ND2-N 3.11Å; N148-T186 PolarHBondContact ND2-OG1 3.45Å; S182-T186 VanDerWaalsContact O-CB 3.31Å; S182-T186 WeakPolarHBondContact O-CB 3.42Å; S182-T186 PolarHBondContact O-N 3.24Å; S182-T186 PolarHBondContact O-OG1 2.94Å; G183-T186 PolarHBondContact O-N 3.3Å; F184-T186 VanDerWaalsContact C-N 3.31Å; F184-T186 PolarHBondContact O-N 3.11Å; T186-F457 HydrophobicContact CG2-CE2 4.46Å; T186-F457 HydrophobicContact CG2-CZ 3.92Å
187	L	98.3	Very high	85	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-87.5	-46.8	-177.7	-67.3	175.3	0	0	0	112.5	L141 G183 F184 S262 L264 V265 S294	L141-L187 HydrophobicContact CD2-CD2 4.04Å; G183-L187 WeakPolarHBondContact O-CG 3.41Å; G183-L187 PolarHBondContact O-N 2.93Å; G183-L187 VanDerWaalsContact O-N 3.09Å; F184-L187 PolarHBondContact O-N 3.07Å; L187-S262 WeakPolarHBondContact O-CB 3.36Å; L187-S262 PolarHBondContact O-N 3.21Å; L187-S262 PolarHBondContact O-OG 3.09Å; L187-L264 HydrophobicContact CD2-CD2 4.49Å; L187-V265 HydrophobicContact CB-CG2 4.46Å; L187-V265 WeakPolarHBondContact O-CG2 3.47Å; L187-S294 VanDerWaalsContact CD1-CB 3.42Å; L187-S294 WeakPolarHBondContact CD1-OG 3.36Å
188	F	97.9	Very high	83.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-103.1	10	-171.6	-57	-78.4	0	0	0	112.8	F184 L250 L255 R258 L261 V265 H287 V290 L291	F184-F188 HydrophobicContact CD1-CB 4.42Å; F184-F188 AromaticContact CD2-CD2 3.94Å; F184-F188 HydrophobicContact CD2-CD2 3.94Å; F184-F188 HydrophobicContact CE1-CB 4.16Å; F184-F188 HydrophobicContact CE2-CD2 4.11Å; F184-F188 HydrophobicContact CE2-CG 4.46Å; F184-F188 HydrophobicContact CG-CD2 4.28Å; F184-F188 HydrophobicContact CZ-CB 4.22Å; F184-F188 WeakPolarHBondContact O-CA 3.35Å; F184-F188 WeakPolarHBondContact O-CB 3.29Å; F184-F188 PolarHBondContact O-N 3.22Å; F188-L250 HydrophobicContact CD1-CD2 3.73Å; F188-L250 HydrophobicContact CE1-CD1 4.25Å; F188-L250 HydrophobicContact CE1-CD2 4.02Å; F188-L250 HydrophobicContact CG-CD2 4.07Å; F188-L250 HydrophobicContact CZ-CD1 4.35Å; F188-L255 HydrophobicContact CB-CD2 4.41Å; F188-L255 HydrophobicContact CD1-CD2 4.04Å; F188-R258 WeakPolarHBondContact O-CD 3.17Å; F188-R258 PolarHBondContact O-NE 3.49Å; F188-L261 VanDerWaalsContact C-CD2 3.42Å; F188-L261 WeakPolarHBondContact O-CD2 3.34Å; F188-V265 HydrophobicContact CD1-CG1 4.15Å; F188-V265 HydrophobicContact CD1-CG2 3.74Å; F188-V265 HydrophobicContact CE1-CG1 4.49Å; F188-V265 HydrophobicContact CE1-CG2 3.67Å; F188-V265 HydrophobicContact CG-CG2 4.49Å; F188-V265 HydrophobicContact CZ-CG2 4.37Å; F188-H287 HydrophobicContact CE1-CB 4.17Å; F188-V290 HydrophobicContact CZ-CG1 4.28Å; F188-L291 HydrophobicContact CD2-CD1 4.43Å; F188-L291 HydrophobicContact CE2-CB 3.87Å; F188-L291 HydrophobicContact CE2-CD1 3.78Å; F188-L291 HydrophobicContact CE2-CG 4.39Å; F188-L291 HydrophobicContact CZ-CB 3.88Å
189	G	94.9	Very high	81.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.			trans	71.8	-170.7	172.7	0	0	0	0	0	113.7	L185 R258 N259 N260	L185-G189 CarbonylContact O-C 3.6Å; L185-G189 WeakPolarHBondContact O-CA 3.39Å; L185-G189 PolarHBondContact O-N 2.76Å; G189-R258 PolarHBondContact O-NE 3.22Å; G189-R258 PolarHBondContact O-NH2 3.49Å; G189-N259 CarbonylContact C-O 3.6Å; G189-N259 WeakPolarHBondContact CA-O 3.25Å; G189-N260 WeakPolarHBondContact CA-O 3.29Å
190	T	90.3	Very high	80.6	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.08	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-119.9	147.8	-176.4	48.2	0	0	0	0	110.6	L185 F192 E206 R258 N259	L185-T190 HydrophobicContact CD2-CG2 3.81Å; T190-F192 WeakPolarHBondContact CB-O 3.38Å; T190-F192 PolarHBondContact O-N 2.79Å; T190-F192 PolarHBondContact OG1-O 3.49Å; T190-F192 VanDerWaalsContact OG1-O 3.11Å; T190-E206 WeakPolarHBondContact CA-OE1 3.41Å; T190-R258 CarbonylContact O-C 3.53Å; T190-R258 VanDerWaalsContact O-CA 3.29Å; T190-R258 WeakPolarHBondContact O-CA 3.26Å; T190-N259 PolarHBondContact N-O 3.48Å; T190-N259 PolarHBondContact O-N 2.98Å
191	E	82.4	Confident	79.5	Confident	60 Å²	60	51.3 Å²	51.3	28%	0.28	26%	0.264	S	S	.	.	S	Bend	trans	-70.5	-24.1	174.4	-65	-170.5	168.7	0	0	112	E206 H209 R258	E191-E206 HydrophobicContact CG-CG 4.33Å; E191-E206 PolarHBondContact N-OE1 2.73Å; E191-H209 IonicContact OE1-ND1 3.15Å; E191-H209 IonicContact OE2-ND1 3.91Å; E191-R258 IonicContact OE1-NH1 3.04Å; E191-R258 PolarHBondContact OE1-NH1 3.42Å
192	F	73.9	Confident	78.5	Confident	56 Å²	56	54.5 Å²	54.5	25%	0.246	28%	0.278	C	S	.	.	S	Bend	trans	-137.6	152.2	-178.4	-50	-75.4	0	0	0	111.3	T190 S194 D197 K202	T190-F192 WeakPolarHBondContact CB-O 3.38Å; T190-F192 PolarHBondContact O-N 2.79Å; T190-F192 PolarHBondContact OG1-O 3.49Å; T190-F192 VanDerWaalsContact OG1-O 3.11Å; F192-S194 PolarHBondContact O-N 2.73Å; F192-S194 VanDerWaalsContact O-N 3.11Å; F192-D197 HydrophobicContact CB-CB 4.44Å; F192-K202 HydrophobicContact CD1-CD 3.75Å; F192-K202 HydrophobicContact CD2-CB 3.94Å; F192-K202 HydrophobicContact CD2-CD 4.48Å; F192-K202 HydrophobicContact CE1-CB 4.41Å; F192-K202 HydrophobicContact CE1-CD 3.56Å; F192-K202 HydrophobicContact CE1-CG 4.2Å; F192-K202 HydrophobicContact CE2-CB 3.68Å; F192-K202 HydrophobicContact CE2-CD 4.31Å; F192-K202 HydrophobicContact CE2-CG 4.25Å; F192-K202 HydrophobicContact CG-CB 4.41Å; F192-K202 HydrophobicContact CG-CD 4.22Å; F192-K202 HydrophobicContact CZ-CB 3.93Å; F192-K202 HydrophobicContact CZ-CD 3.85Å; F192-K202 HydrophobicContact CZ-CG 3.96Å
193	N	62	Low	77.5	Confident	63 Å²	63	56.9 Å²	56.9	34%	0.337	29%	0.289	S	S	.	.			trans	-77	101	174.9	-163.2	-17.1	0	0	0	109.3	N195 H196 D197	N193-N195 PolarHBondContact O-N 2.8Å; N193-N195 VanDerWaalsContact O-N 3.07Å; N193-H196 PolarHBondContact O-N 3.39Å; N193-D197 PolarHBondContact O-N 3.02Å; N193-D197 VanDerWaalsContact O-N 3.08Å
194	S	55	Low	76.6	Confident	61 Å²	61	63.3 Å²	63.3	43%	0.427	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.6	-175.9	52.5	0	0	0	0	113.6	F192 H196	F192-S194 PolarHBondContact O-N 2.73Å; F192-S194 VanDerWaalsContact O-N 3.11Å; S194-H196 VanDerWaalsContact C-N 3.34Å; S194-H196 PolarHBondContact O-N 3.38Å
195	N	50.9	Low	75.9	Confident	127 Å²	127	66 Å²	66	68%	0.679	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	179.8	-72.4	-21	0	0	0	114.4	N193	N193-N195 PolarHBondContact O-N 2.8Å; N193-N195 VanDerWaalsContact O-N 3.07Å
196	H	48.8	Very low	75.3	Confident	159 Å²	159	66.4 Å²	66.4	74%	0.736	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-27.4	-175.8	-75.3	-63	0	0	0	114.8	N193 S194	N193-H196 PolarHBondContact O-N 3.39Å; S194-H196 VanDerWaalsContact C-N 3.34Å; S194-H196 PolarHBondContact O-N 3.38Å
197	D	53.7	Low	74.7	Confident	56 Å²	56	69 Å²	69	30%	0.299	35%	0.348	S	S	.	.			trans	-104.1	91.7	-172	-136.3	-11.6	0	0	0	110.9	F192 N193 N199 K202 Q203	F192-D197 HydrophobicContact CB-CB 4.44Å; N193-D197 PolarHBondContact O-N 3.02Å; N193-D197 VanDerWaalsContact O-N 3.08Å; D197-N199 PolarHBondContact O-N 3.14Å; D197-N199 VanDerWaalsContact O-N 3.11Å; D197-K202 IonicContact OD1-NZ 2.56Å; D197-K202 IonicContact OD2-NZ 3.33Å; D197-K202 PolarHBondContact OD2-NZ 2.74Å; D197-Q203 PolarHBondContact O-NE2 3.2Å
198	K	58.9	Low	74.2	Confident	201 Å²	201	71 Å²	71	87%	0.874	36%	0.364	S	S	*	.			trans	-74.3	13.4	177.5	-68.3	-172.5	178.1	-177.1	0	114	L200	K198-L200 PolarHBondContact O-N 2.85Å
199	N	70.3	Confident	73.8	Confident	67 Å²	67	75.6 Å²	75.6	36%	0.358	39%	0.386	S	S	.	.			trans	-77.9	96.7	-176.6	-169.7	-20.6	0	0	0	110.8	D197 S201 K202 Q203	D197-N199 PolarHBondContact O-N 3.14Å; D197-N199 VanDerWaalsContact O-N 3.11Å; N199-S201 PolarHBondContact O-N 2.79Å; N199-S201 VanDerWaalsContact O-N 3.17Å; N199-S201 PolarHBondContact OD1-N 3.02Å; N199-S201 PolarHBondContact OD1-OG 3.3Å; N199-K202 HydrophobicContact CB-CB 4.41Å; N199-K202 HydrophobicContact CB-CD 4.05Å; N199-K202 HydrophobicContact CB-CG 4.21Å; N199-K202 WeakPolarHBondContact O-CB 3.47Å; N199-K202 PolarHBondContact O-N 3.08Å; N199-K202 VanDerWaalsContact O-N 3.07Å; N199-Q203 PolarHBondContact O-N 2.77Å
200	L	71.4	Confident	73.7	Confident	123 Å²	123	75.9 Å²	75.9	64%	0.644	39%	0.387	S	S	*	.	H	α-helix	trans	-49.8	-39.8	179.8	-70.3	164.2	0	0	0	113.1	K198 K202 Q203 E204	K198-L200 PolarHBondContact O-N 2.85Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-K202 PolarHBondContact O-N 2.68Å; L200-Q203 PolarHBondContact O-N 3.38Å; L200-E204 WeakPolarHBondContact O-CG 3.45Å; L200-E204 PolarHBondContact O-N 2.94Å
201	S	74.6	Confident	73.8	Confident	63 Å²	63	78.2 Å²	78.2	44%	0.441	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-34.6	-178.5	68.7	0	0	0	0	113.5	N199 T205	N199-S201 PolarHBondContact O-N 2.79Å; N199-S201 VanDerWaalsContact O-N 3.17Å; N199-S201 PolarHBondContact OD1-N 3.02Å; N199-S201 PolarHBondContact OD1-OG 3.3Å; S201-T205 PolarHBondContact O-N 3.34Å; S201-T205 VanDerWaalsContact O-N 3.11Å; S201-T205 PolarHBondContact O-OG1 2.82Å
202	K	75.9	Confident	74.4	Confident	70 Å²	70	80 Å²	80	30%	0.304	41%	0.41	S	S	.	.	H	α-helix	trans	-70.4	-41.8	176.4	-72.6	-178.1	175.5	-176.7	0	111.1	F192 D197 N199 L200 T205 E206	F192-K202 HydrophobicContact CD1-CD 3.75Å; F192-K202 HydrophobicContact CD2-CB 3.94Å; F192-K202 HydrophobicContact CD2-CD 4.48Å; F192-K202 HydrophobicContact CE1-CB 4.41Å; F192-K202 HydrophobicContact CE1-CD 3.56Å; F192-K202 HydrophobicContact CE1-CG 4.2Å; F192-K202 HydrophobicContact CE2-CB 3.68Å; F192-K202 HydrophobicContact CE2-CD 4.31Å; F192-K202 HydrophobicContact CE2-CG 4.25Å; F192-K202 HydrophobicContact CG-CB 4.41Å; F192-K202 HydrophobicContact CG-CD 4.22Å; F192-K202 HydrophobicContact CZ-CB 3.93Å; F192-K202 HydrophobicContact CZ-CD 3.85Å; F192-K202 HydrophobicContact CZ-CG 3.96Å; D197-K202 IonicContact OD1-NZ 2.56Å; D197-K202 IonicContact OD2-NZ 3.33Å; D197-K202 PolarHBondContact OD2-NZ 2.74Å; N199-K202 HydrophobicContact CB-CB 4.41Å; N199-K202 HydrophobicContact CB-CD 4.05Å; N199-K202 HydrophobicContact CB-CG 4.21Å; N199-K202 WeakPolarHBondContact O-CB 3.47Å; N199-K202 PolarHBondContact O-N 3.08Å; N199-K202 VanDerWaalsContact O-N 3.07Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-K202 PolarHBondContact O-N 2.68Å; K202-T205 PolarHBondContact O-N 3.2Å; K202-E206 PolarHBondContact O-N 2.72Å
203	Q	76.4	Confident	75.5	Confident	50 Å²	50	77.7 Å²	77.7	23%	0.234	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-41.8	177	-64	177.9	-7.2	0	0	111.5	D197 N199 L200 T205 R207	D197-Q203 PolarHBondContact O-NE2 3.2Å; N199-Q203 PolarHBondContact O-N 2.77Å; L200-Q203 PolarHBondContact O-N 3.38Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.33Å; Q203-R207 VanDerWaalsContact O-CB 3.31Å; Q203-R207 WeakPolarHBondContact O-CB 3.21Å; Q203-R207 PolarHBondContact O-N 3.06Å
204	E	79.8	Confident	77.3	Confident	136 Å²	136	75 Å²	75	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-37.3	174.3	-72.5	176.3	156.5	0	0	112.3	L200 A208	L200-E204 WeakPolarHBondContact O-CG 3.45Å; L200-E204 PolarHBondContact O-N 2.94Å; E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 3.48Å
205	T	84.3	Confident	79.3	Confident	69 Å²	69	77 Å²	77	42%	0.423	39%	0.39	S	S	.	.	H	α-helix	trans	-68.2	-49.1	177.4	-57.8	0	0	0	0	111.8	S201 K202 Q203 R207 A208 H209	S201-T205 PolarHBondContact O-N 3.34Å; S201-T205 VanDerWaalsContact O-N 3.11Å; S201-T205 PolarHBondContact O-OG1 2.82Å; K202-T205 PolarHBondContact O-N 3.2Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.33Å; T205-R207 VanDerWaalsContact C-N 3.27Å; T205-R207 PolarHBondContact O-N 3.49Å; T205-A208 WeakPolarHBondContact O-CB 3.44Å; T205-A208 PolarHBondContact O-N 3.08Å; T205-A208 VanDerWaalsContact O-N 3.14Å; T205-H209 PolarHBondContact O-N 3.12Å
206	E	84.7	Confident	81.6	Confident	14 Å²	14	72.3 Å²	72.3	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-58.5	-43.5	176.2	174.3	164.7	-144.4	0	0	110.7	T190 E191 K202 A208 H209 I210 R258	T190-E206 WeakPolarHBondContact CA-OE1 3.41Å; E191-E206 HydrophobicContact CG-CG 4.33Å; E191-E206 PolarHBondContact N-OE1 2.73Å; K202-E206 PolarHBondContact O-N 2.72Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.03Å; E206-H209 WeakPolarHBondContact O-CB 3.34Å; E206-H209 PolarHBondContact O-N 2.85Å; E206-H209 VanDerWaalsContact O-N 3.12Å; E206-I210 HydrophobicContact CG-CD1 3.83Å; E206-I210 HydrophobicContact CG-CG1 4.42Å; E206-I210 WeakPolarHBondContact O-CG1 3.34Å; E206-I210 PolarHBondContact O-N 3.38Å; E206-R258 IonicContact OE1-CZ 3.71Å; E206-R258 IonicContact OE1-NH2 3.64Å; E206-R258 PolarHBondContact OE1-NH2 2.93Å
207	R	83.4	Confident	84	Confident	57 Å²	57	65 Å²	65	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-44.8	175.7	-171.7	-174	-165.6	160.7	21.7	112.2	S156 Q203 T205 H209 I210 L211	S156-R207 PolarHBondContact O-NH1 2.84Å; S156-R207 PolarHBondContact OG-NH2 3.21Å; Q203-R207 VanDerWaalsContact O-CB 3.31Å; Q203-R207 WeakPolarHBondContact O-CB 3.21Å; Q203-R207 PolarHBondContact O-N 3.06Å; T205-R207 VanDerWaalsContact C-N 3.27Å; T205-R207 PolarHBondContact O-N 3.49Å; R207-H209 VanDerWaalsContact C-N 3.28Å; R207-H209 PolarHBondContact O-N 3.13Å; R207-I210 PolarHBondContact O-N 2.58Å; R207-L211 HydrophobicContact CG-CD1 4.25Å; R207-L211 HydrophobicContact CG-CG 4.46Å; R207-L211 WeakPolarHBondContact O-CB 3.15Å; R207-L211 WeakPolarHBondContact O-CG 3.1Å; R207-L211 PolarHBondContact O-N 3.27Å
208	A	88.3	Confident	86.1	Confident	45 Å²	45	65.9 Å²	65.9	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-38.8	176.3	0	0	0	0	0	111.5	E204 T205 E206 N212	E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 3.48Å; T205-A208 WeakPolarHBondContact O-CB 3.44Å; T205-A208 PolarHBondContact O-N 3.08Å; T205-A208 VanDerWaalsContact O-N 3.14Å; E206-A208 VanDerWaalsContact C-N 3.34Å; E206-A208 PolarHBondContact O-N 3.03Å; A208-N212 WeakPolarHBondContact O-CB 3.37Å; A208-N212 VanDerWaalsContact O-CG 3.26Å; A208-N212 PolarHBondContact O-N 3.08Å; A208-N212 PolarHBondContact O-ND2 3.37Å
209	H	90.8	Very high	88	Confident	97 Å²	97	59.2 Å²	59.2	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-43.9	173.1	-66.8	164.5	0	0	0	112.4	E191 T205 E206 R207 N212 A213	E191-H209 IonicContact OE1-ND1 3.15Å; E191-H209 IonicContact OE2-ND1 3.91Å; T205-H209 PolarHBondContact O-N 3.12Å; E206-H209 WeakPolarHBondContact O-CB 3.34Å; E206-H209 PolarHBondContact O-N 2.85Å; E206-H209 VanDerWaalsContact O-N 3.12Å; R207-H209 VanDerWaalsContact C-N 3.28Å; R207-H209 PolarHBondContact O-N 3.13Å; H209-N212 WeakPolarHBondContact O-CB 3.37Å; H209-N212 PolarHBondContact O-N 2.69Å; H209-A213 PolarHBondContact O-N 3.03Å
210	I	92.8	Very high	89.3	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-39.1	179	-63.3	165	0	0	0	111.4	F180 E181 F184 L185 E206 R207 N212 A213 L214	F180-I210 HydrophobicContact CD1-CG2 4.25Å; F180-I210 HydrophobicContact CE1-CG2 4.28Å; E181-I210 HydrophobicContact CB-CG2 4.04Å; E181-I210 HydrophobicContact CG-CD1 4.29Å; E181-I210 HydrophobicContact CG-CG2 3.84Å; F184-I210 HydrophobicContact CD1-CG1 4.2Å; F184-I210 HydrophobicContact CE1-CG1 4.42Å; L185-I210 HydrophobicContact CD1-CD1 4.35Å; L185-I210 HydrophobicContact CD2-CD1 3.54Å; L185-I210 HydrophobicContact CG-CD1 3.96Å; E206-I210 HydrophobicContact CG-CD1 3.83Å; E206-I210 HydrophobicContact CG-CG1 4.42Å; E206-I210 WeakPolarHBondContact O-CG1 3.34Å; E206-I210 PolarHBondContact O-N 3.38Å; R207-I210 PolarHBondContact O-N 2.58Å; I210-N212 VanDerWaalsContact C-N 3.33Å; I210-N212 PolarHBondContact O-N 3.44Å; I210-A213 CarbonylContact O-C 3.53Å; I210-A213 WeakPolarHBondContact O-CA 3.14Å; I210-A213 WeakPolarHBondContact O-CB 3.16Å; I210-A213 PolarHBondContact O-N 3.27Å; I210-A213 VanDerWaalsContact O-N 3.12Å; I210-L214 PolarHBondContact O-N 3.44Å
211	L	91.3	Very high	90.6	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-40.6	173.5	-71	174.2	0	0	0	111.5	R207 A213 L214 E215	R207-L211 HydrophobicContact CG-CD1 4.25Å; R207-L211 HydrophobicContact CG-CG 4.46Å; R207-L211 WeakPolarHBondContact O-CB 3.15Å; R207-L211 WeakPolarHBondContact O-CG 3.1Å; R207-L211 PolarHBondContact O-N 3.27Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 2.8Å; L211-L214 WeakPolarHBondContact O-CB 3.37Å; L211-L214 PolarHBondContact O-N 3.42Å; L211-E215 WeakPolarHBondContact O-CG 3.47Å; L211-E215 PolarHBondContact O-N 2.89Å
212	N	95.8	Very high	91.7	Very high	97 Å²	97	54.5 Å²	54.5	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-39.9	172.1	-73.8	-32	0	0	0	111.7	A208 H209 I210 E215 N216	A208-N212 WeakPolarHBondContact O-CB 3.37Å; A208-N212 VanDerWaalsContact O-CG 3.26Å; A208-N212 PolarHBondContact O-N 3.08Å; A208-N212 PolarHBondContact O-ND2 3.37Å; H209-N212 WeakPolarHBondContact O-CB 3.37Å; H209-N212 PolarHBondContact O-N 2.69Å; I210-N212 VanDerWaalsContact C-N 3.33Å; I210-N212 PolarHBondContact O-N 3.44Å; N212-E215 PolarHBondContact O-N 3.36Å; N212-N216 WeakPolarHBondContact O-CB 3.44Å; N212-N216 VanDerWaalsContact O-CG 3.28Å; N212-N216 PolarHBondContact O-N 3.38Å; N212-N216 PolarHBondContact O-ND2 2.87Å
213	A	97.5	Very high	92.7	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-39.9	174.6	0	0	0	0	0	111.8	F180 H209 I210 L211 N216 F217 L246	F180-A213 HydrophobicContact CE1-CB 4.07Å; F180-A213 HydrophobicContact CZ-CB 4.22Å; H209-A213 PolarHBondContact O-N 3.03Å; I210-A213 CarbonylContact O-C 3.53Å; I210-A213 WeakPolarHBondContact O-CA 3.14Å; I210-A213 WeakPolarHBondContact O-CB 3.16Å; I210-A213 PolarHBondContact O-N 3.27Å; I210-A213 VanDerWaalsContact O-N 3.12Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 2.8Å; A213-N216 PolarHBondContact O-N 2.86Å; A213-F217 VanDerWaalsContact O-CB 3.26Å; A213-F217 WeakPolarHBondContact O-CB 3.41Å; A213-F217 PolarHBondContact O-N 3.44Å; A213-L246 HydrophobicContact CB-CD2 4.21Å
214	L	98.1	Very high	93.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-47.3	175.2	173.4	58.6	0	0	0	111.7	R177 F180 I210 L211 F217 K218	R177-L214 HydrophobicContact CB-CD2 4.36Å; F180-L214 HydrophobicContact CB-CD1 3.72Å; F180-L214 HydrophobicContact CD1-CB 3.65Å; F180-L214 HydrophobicContact CD1-CD1 3.93Å; F180-L214 HydrophobicContact CD1-CG 4.3Å; F180-L214 HydrophobicContact CD2-CD1 3.94Å; F180-L214 VanDerWaalsContact CE1-CA 3.48Å; F180-L214 HydrophobicContact CE1-CB 3.77Å; F180-L214 HydrophobicContact CG-CB 4.24Å; F180-L214 HydrophobicContact CG-CD1 3.59Å; F180-L214 HydrophobicContact CG-CG 4.44Å; F180-L214 HydrophobicContact CZ-CB 4.44Å; I210-L214 PolarHBondContact O-N 3.44Å; L211-L214 WeakPolarHBondContact O-CB 3.37Å; L211-L214 PolarHBondContact O-N 3.42Å; L214-F217 WeakPolarHBondContact O-CB 3.5Å; L214-F217 PolarHBondContact O-N 2.97Å; L214-K218 HydrophobicContact CD1-CD 4.37Å; L214-K218 HydrophobicContact CD1-CG 4.22Å; L214-K218 HydrophobicContact CG-CD 4.43Å; L214-K218 WeakPolarHBondContact O-CG 3.4Å; L214-K218 PolarHBondContact O-N 3.43Å
215	E	98.3	Very high	94.4	Very high	105 Å²	105	45 Å²	45	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-67	-39.2	179.7	-66.8	-52.7	125.9	0	0	111.9	L211 N212 F217 K218 E219	L211-E215 WeakPolarHBondContact O-CG 3.47Å; L211-E215 PolarHBondContact O-N 2.89Å; N212-E215 PolarHBondContact O-N 3.36Å; E215-F217 VanDerWaalsContact C-N 3.32Å; E215-F217 PolarHBondContact O-N 2.89Å; E215-K218 PolarHBondContact O-N 3.45Å; E215-K218 IonicContact OE1-NZ 3.78Å; E215-K218 PolarHBondContact OE1-NZ 3.4Å; E215-E219 WeakPolarHBondContact O-CB 3.4Å; E215-E219 PolarHBondContact O-N 2.89Å
216	N	98.7	Very high	94.8	Very high	27 Å²	27	42.8 Å²	42.8	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-38.8	171.9	-69.3	-47.3	0	0	0	111.8	N212 A213 E219 F220 A242 K245 L246	N212-N216 WeakPolarHBondContact O-CB 3.44Å; N212-N216 VanDerWaalsContact O-CG 3.28Å; N212-N216 PolarHBondContact O-N 3.38Å; N212-N216 PolarHBondContact O-ND2 2.87Å; A213-N216 PolarHBondContact O-N 2.86Å; N216-E219 PolarHBondContact O-N 3.45Å; N216-F220 WeakPolarHBondContact O-CB 3.07Å; N216-F220 PolarHBondContact O-N 3.41Å; N216-A242 HydrophobicContact CB-CB 4.02Å; N216-A242 WeakPolarHBondContact O-CB 3.3Å; N216-K245 WeakPolarHBondContact OD1-CD 3.27Å; N216-L246 HydrophobicContact CB-CD1 4.38Å; N216-L246 HydrophobicContact CB-CD2 4.05Å; N216-L246 HydrophobicContact CB-CG 3.93Å
217	F	98.8	Very high	95.3	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-49.1	176.2	176.3	-100.1	0	0	0	111.5	F180 A213 L214 E215 E219 F220 D221 L246 L291 W292 Q295 A296 I299	F180-F217 HydrophobicContact CD2-CB 4.41Å; F180-F217 AromaticContact CD2-CD1 3.89Å; F180-F217 HydrophobicContact CD2-CD1 3.89Å; F180-F217 HydrophobicContact CD2-CE1 4.42Å; F180-F217 HydrophobicContact CD2-CG 4.11Å; F180-F217 HydrophobicContact CE2-CB 3.51Å; F180-F217 AromaticContact CE2-CD1 3.7Å; F180-F217 HydrophobicContact CE2-CD1 3.7Å; F180-F217 AromaticContact CE2-CD2 3.98Å; F180-F217 HydrophobicContact CE2-CD2 3.98Å; F180-F217 HydrophobicContact CE2-CE1 4.46Å; F180-F217 AromaticContact CE2-CG 3.43Å; F180-F217 HydrophobicContact CE2-CG 3.43Å; F180-F217 VanDerWaalsContact CE2-CG 3.43Å; F180-F217 HydrophobicContact CZ-CB 3.84Å; F180-F217 HydrophobicContact CZ-CG 4.25Å; A213-F217 VanDerWaalsContact O-CB 3.26Å; A213-F217 WeakPolarHBondContact O-CB 3.41Å; A213-F217 PolarHBondContact O-N 3.44Å; L214-F217 WeakPolarHBondContact O-CB 3.5Å; L214-F217 PolarHBondContact O-N 2.97Å; E215-F217 VanDerWaalsContact C-N 3.32Å; E215-F217 PolarHBondContact O-N 2.89Å; F217-E219 PolarHBondContact O-N 3.47Å; F217-F220 PolarHBondContact O-N 2.77Å; F217-D221 HydrophobicContact CE1-CB 4.37Å; F217-D221 HydrophobicContact CZ-CB 4.35Å; F217-D221 WeakPolarHBondContact O-CB 3.45Å; F217-D221 PolarHBondContact O-N 3.45Å; F217-L246 HydrophobicContact CB-CD1 4.45Å; F217-L291 HydrophobicContact CD2-CD2 4.48Å; F217-L291 HydrophobicContact CD2-CG 4.42Å; F217-W292 HydrophobicContact CE2-CB 4.2Å; F217-W292 AromaticContact CE2-CD1 3.75Å; F217-W292 HydrophobicContact CE2-CG 4.29Å; F217-Q295 HydrophobicContact CE1-CB 4Å; F217-Q295 HydrophobicContact CE2-CB 4.18Å; F217-Q295 HydrophobicContact CZ-CB 3.65Å; F217-A296 HydrophobicContact CZ-CB 4.31Å; F217-I299 HydrophobicContact CE1-CD1 4.21Å
218	K	98.4	Very high	95.8	Very high	73 Å²	73	41.4 Å²	41.4	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-58.3	-46.7	176.7	-72.2	174.1	-177.7	167.3	0	111.9	L214 E215 F220 D221 K222	L214-K218 HydrophobicContact CD1-CD 4.37Å; L214-K218 HydrophobicContact CD1-CG 4.22Å; L214-K218 HydrophobicContact CG-CD 4.43Å; L214-K218 WeakPolarHBondContact O-CG 3.4Å; L214-K218 PolarHBondContact O-N 3.43Å; E215-K218 PolarHBondContact O-N 3.45Å; E215-K218 IonicContact OE1-NZ 3.78Å; E215-K218 PolarHBondContact OE1-NZ 3.4Å; K218-F220 VanDerWaalsContact C-N 3.35Å; K218-F220 PolarHBondContact O-N 2.94Å; K218-D221 PolarHBondContact O-N 3.48Å; K218-K222 WeakPolarHBondContact O-CB 3.45Å; K218-K222 PolarHBondContact O-N 3.15Å
219	E	98.4	Very high	95.8	Very high	61 Å²	61	42 Å²	42	29%	0.285	22%	0.22	S	C	.	.	H	α-helix	trans	-66.2	-37.1	-178.5	-174.5	61.8	-168.3	0	0	112.1	E215 N216 F217 S238 A239 A242	E215-E219 WeakPolarHBondContact O-CB 3.4Å; E215-E219 PolarHBondContact O-N 2.89Å; N216-E219 PolarHBondContact O-N 3.45Å; F217-E219 PolarHBondContact O-N 3.47Å; E219-S238 WeakPolarHBondContact OE1-CB 3.46Å; E219-S238 PolarHBondContact OE1-OG 3.21Å; E219-A239 HydrophobicContact CG-CB 4.46Å; E219-A239 WeakPolarHBondContact O-CB 3.19Å; E219-A242 HydrophobicContact CB-CB 3.99Å; E219-A242 HydrophobicContact CG-CB 4.13Å
220	F	98.6	Very high	95.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-47.3	172.9	172.5	-117.4	0	0	0	112.2	V108 F109 N216 F217 K218 K222 I223 F224 L227 I233 R243	V108-F220 HydrophobicContact CG1-CZ 3.93Å; F109-F220 AromaticContact CD1-CE1 4Å; F109-F220 HydrophobicContact CD1-CE1 4Å; F109-F220 AromaticContact CD1-CZ 3.87Å; F109-F220 HydrophobicContact CD1-CZ 3.87Å; F109-F220 AromaticContact CE1-CE1 3.73Å; F109-F220 HydrophobicContact CE1-CE1 3.73Å; F109-F220 AromaticContact CE1-CZ 3.95Å; F109-F220 HydrophobicContact CE1-CZ 3.95Å; N216-F220 WeakPolarHBondContact O-CB 3.07Å; N216-F220 PolarHBondContact O-N 3.41Å; F217-F220 PolarHBondContact O-N 2.77Å; K218-F220 VanDerWaalsContact C-N 3.35Å; K218-F220 PolarHBondContact O-N 2.94Å; F220-K222 VanDerWaalsContact C-N 3.28Å; F220-K222 PolarHBondContact O-N 3.27Å; F220-I223 HydrophobicContact CD2-CD1 4.36Å; F220-I223 PolarHBondContact O-N 3.46Å; F220-F224 HydrophobicContact CE1-CD2 4.29Å; F220-F224 HydrophobicContact CE1-CE2 4.5Å; F220-F224 HydrophobicContact CZ-CD2 4.32Å; F220-L227 HydrophobicContact CD2-CD1 4.47Å; F220-L227 HydrophobicContact CE2-CD1 3.67Å; F220-L227 HydrophobicContact CZ-CD1 4.37Å; F220-I233 HydrophobicContact CD2-CD1 4.38Å; F220-I233 HydrophobicContact CE2-CD1 4.17Å; F220-R243 HydrophobicContact CD2-CB 3.72Å; F220-R243 HydrophobicContact CD2-CG 4.01Å; F220-R243 HydrophobicContact CE2-CB 4.07Å; F220-R243 HydrophobicContact CE2-CG 3.86Å; F220-R243 HydrophobicContact CG-CB 4.2Å; F220-R243 HydrophobicContact CG-CG 4.48Å; F220-R243 HydrophobicContact CZ-CG 4.22Å
221	D	98.3	Very high	95.6	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-32.7	-177.9	-176	50.9	0	0	0	112.6	F217 K218 I223 F224 W292 R491 Q498	F217-D221 HydrophobicContact CE1-CB 4.37Å; F217-D221 HydrophobicContact CZ-CB 4.35Å; F217-D221 WeakPolarHBondContact O-CB 3.45Å; F217-D221 PolarHBondContact O-N 3.45Å; K218-D221 PolarHBondContact O-N 3.48Å; D221-I223 PolarHBondContact O-N 2.85Å; D221-F224 WeakPolarHBondContact O-CB 3.34Å; D221-F224 PolarHBondContact O-N 2.81Å; D221-W292 PolarHBondContact OD1-NE1 2.99Å; D221-R491 PolarHBondContact O-NH1 3.01Å; D221-R491 PolarHBondContact O-NH2 2.63Å; D221-R491 IonicContact OD1-CZ 3.9Å; D221-R491 IonicContact OD1-NH2 2.81Å; D221-R491 PolarHBondContact OD1-NH2 3.41Å; D221-R491 IonicContact OD2-CZ 3.03Å; D221-R491 IonicContact OD2-NH1 3.57Å; D221-R491 IonicContact OD2-NH2 3.71Å; D221-R491 PolarHBondContact OD2-NH2 3.1Å; D221-Q498 PolarHBondContact OD2-NE2 3.25Å
222	K	97.3	Very high	95.8	Very high	146 Å²	146	43 Å²	43	64%	0.635	24%	0.241	S	C	*	.	H	α-helix	trans	-53.5	-38.2	176.4	-178.9	177.9	179	179.8	0	113	K218 F220	K218-K222 WeakPolarHBondContact O-CB 3.45Å; K218-K222 PolarHBondContact O-N 3.15Å; F220-K222 VanDerWaalsContact C-N 3.28Å; F220-K222 PolarHBondContact O-N 3.27Å
223	I	97.3	Very high	95.9	Very high	20 Å²	20	39 Å²	39	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.5	-178.9	59.6	75.2	0	0	0	113.4	F220 D221 P225 A226 L227 I233 F236 A239	F220-I223 HydrophobicContact CD2-CD1 4.36Å; F220-I223 PolarHBondContact O-N 3.46Å; D221-I223 PolarHBondContact O-N 2.85Å; I223-P225 VanDerWaalsContact C-CD 3.46Å; I223-A226 WeakPolarHBondContact O-CB 3.06Å; I223-A226 PolarHBondContact O-N 3.06Å; I223-L227 HydrophobicContact CD1-CD1 3.31Å; I223-L227 HydrophobicContact CD1-CD2 3.87Å; I223-L227 HydrophobicContact CD1-CG 3.44Å; I223-L227 VanDerWaalsContact CD1-CG 3.44Å; I223-L227 PolarHBondContact O-N 3.43Å; I223-L227 VanDerWaalsContact O-N 3.11Å; I223-I233 HydrophobicContact CD1-CG1 4.45Å; I223-F236 HydrophobicContact CB-CD1 4.43Å; I223-F236 HydrophobicContact CB-CD2 4.43Å; I223-F236 HydrophobicContact CB-CG 4.27Å; I223-F236 HydrophobicContact CG1-CB 4.28Å; I223-F236 HydrophobicContact CG1-CG 4.33Å; I223-F236 HydrophobicContact CG2-CB 4.43Å; I223-F236 HydrophobicContact CG2-CD1 3.84Å; I223-F236 HydrophobicContact CG2-CE1 4.24Å; I223-F236 HydrophobicContact CG2-CG 4.08Å; I223-A239 HydrophobicContact CD1-CB 3.82Å; I223-A239 HydrophobicContact CG1-CB 3.22Å
224	F	97.3	Very high	95.8	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-43.1	178.5	-158.2	-82.3	0	0	0	113.5	V108 F109 F220 D221 A226 L227 V228 W292 L494	V108-F224 HydrophobicContact CB-CE2 4.5Å; V108-F224 HydrophobicContact CG1-CD2 3.69Å; V108-F224 HydrophobicContact CG1-CE1 4.45Å; V108-F224 HydrophobicContact CG1-CE2 3.31Å; V108-F224 HydrophobicContact CG1-CG 4.42Å; V108-F224 HydrophobicContact CG1-CZ 3.75Å; F109-F224 HydrophobicContact CE1-CE2 4.08Å; F109-F224 HydrophobicContact CE2-CE2 4.38Å; F109-F224 HydrophobicContact CE2-CZ 4.45Å; F109-F224 AromaticContact CZ-CE2 3.66Å; F109-F224 HydrophobicContact CZ-CE2 3.66Å; F109-F224 HydrophobicContact CZ-CZ 4.06Å; F220-F224 HydrophobicContact CE1-CD2 4.29Å; F220-F224 HydrophobicContact CE1-CE2 4.5Å; F220-F224 HydrophobicContact CZ-CD2 4.32Å; D221-F224 WeakPolarHBondContact O-CB 3.34Å; D221-F224 PolarHBondContact O-N 2.81Å; F224-A226 VanDerWaalsContact C-N 3.29Å; F224-A226 PolarHBondContact O-N 2.86Å; F224-L227 PolarHBondContact O-N 3.39Å; F224-V228 HydrophobicContact CD1-CG2 3.68Å; F224-V228 HydrophobicContact CE1-CG2 3.53Å; F224-V228 WeakPolarHBondContact O-CG2 3.4Å; F224-V228 PolarHBondContact O-N 2.99Å; F224-W292 HydrophobicContact CD1-CH2 4.24Å; F224-W292 AromaticContact CD1-CZ2 3.61Å; F224-W292 HydrophobicContact CD1-CZ2 3.61Å; F224-W292 AromaticContact CD2-CD1 3.75Å; F224-W292 HydrophobicContact CD2-CD2 4.14Å; F224-W292 AromaticContact CD2-CE2 3.47Å; F224-W292 VanDerWaalsContact CD2-CE2 3.47Å; F224-W292 HydrophobicContact CD2-CG 4.3Å; F224-W292 AromaticContact CD2-CZ2 3.91Å; F224-W292 HydrophobicContact CD2-CZ2 3.91Å; F224-W292 AromaticContact CD2-NE1 3.2Å; F224-W292 AromaticContact CE1-CE2 3.88Å; F224-W292 AromaticContact CE1-CH2 3.62Å; F224-W292 HydrophobicContact CE1-CH2 3.62Å; F224-W292 AromaticContact CE1-CZ2 3.4Å; F224-W292 HydrophobicContact CE1-CZ2 3.4Å; F224-W292 HydrophobicContact CE1-CZ3 4.26Å; F224-W292 AromaticContact CE2-CD1 3.71Å; F224-W292 AromaticContact CE2-CD2 3.47Å; F224-W292 HydrophobicContact CE2-CD2 3.47Å; F224-W292 VanDerWaalsContact CE2-CD2 3.47Å; F224-W292 AromaticContact CE2-CE2 3.22Å; F224-W292 HydrophobicContact CE2-CE3 4.1Å; F224-W292 AromaticContact CE2-CG 3.8Å; F224-W292 HydrophobicContact CE2-CG 3.8Å; F224-W292 HydrophobicContact CE2-CH2 4.31Å; F224-W292 AromaticContact CE2-CZ2 3.7Å; F224-W292 HydrophobicContact CE2-CZ2 3.7Å; F224-W292 HydrophobicContact CE2-CZ3 4.48Å; F224-W292 AromaticContact CE2-NE1 3.37Å; F224-W292 AromaticContact CG-CE2 3.88Å; F224-W292 AromaticContact CG-CZ2 3.86Å; F224-W292 HydrophobicContact CG-CZ2 3.86Å; F224-W292 AromaticContact CG-NE1 3.76Å; F224-W292 AromaticContact CZ-CD2 3.7Å; F224-W292 HydrophobicContact CZ-CD2 3.7Å; F224-W292 AromaticContact CZ-CE2 3.45Å; F224-W292 VanDerWaalsContact CZ-CE2 3.45Å; F224-W292 AromaticContact CZ-CE3 3.88Å; F224-W292 HydrophobicContact CZ-CE3 3.88Å; F224-W292 HydrophobicContact CZ-CG 4.47Å; F224-W292 AromaticContact CZ-CH2 3.65Å; F224-W292 HydrophobicContact CZ-CH2 3.65Å; F224-W292 AromaticContact CZ-CZ2 3.44Å; F224-W292 HydrophobicContact CZ-CZ2 3.44Å; F224-W292 VanDerWaalsContact CZ-CZ2 3.44Å; F224-W292 AromaticContact CZ-CZ3 3.86Å; F224-W292 HydrophobicContact CZ-CZ3 3.86Å; F224-L494 HydrophobicContact CD1-CD1 3.87Å; F224-L494 HydrophobicContact CD1-CD2 4.03Å; F224-L494 HydrophobicContact CE1-CD2 4.11Å
225	P	94.5	Very high	95.7	Very high	28 Å²	28	50.3 Å²	50.3	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-40.2	175.4	-21.7	30.8	0	0	0	113.1	I223 V228 A229 S490 R491 L494	I223-P225 VanDerWaalsContact C-CD 3.46Å; P225-V228 PolarHBondContact O-N 2.94Å; P225-A229 WeakPolarHBondContact O-CB 3.49Å; P225-A229 PolarHBondContact O-N 2.98Å; P225-S490 VanDerWaalsContact CB-O 3.3Å; P225-S490 WeakPolarHBondContact CB-O 3.2Å; P225-S490 WeakPolarHBondContact CG-O 3.28Å; P225-R491 HydrophobicContact CG-CG 4.15Å; P225-L494 HydrophobicContact CB-CD1 4.18Å; P225-L494 HydrophobicContact CG-CD1 3.69Å
226	A	93.4	Very high	95.7	Very high	23 Å²	23	47.8 Å²	47.8	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-39.6	178.5	0	0	0	0	0	111.9	I223 F224 A229 G230 L231 F236	I223-A226 WeakPolarHBondContact O-CB 3.06Å; I223-A226 PolarHBondContact O-N 3.06Å; F224-A226 VanDerWaalsContact C-N 3.29Å; F224-A226 PolarHBondContact O-N 2.86Å; A226-A229 PolarHBondContact O-N 3.03Å; A226-G230 PolarHBondContact O-N 2.86Å; A226-L231 HydrophobicContact CB-CB 4.31Å; A226-L231 HydrophobicContact CB-CD2 4.27Å; A226-L231 WeakPolarHBondContact O-CB 3.43Å; A226-L231 PolarHBondContact O-N 3.33Å; A226-F236 HydrophobicContact CB-CE2 4.03Å; A226-F236 HydrophobicContact CB-CZ 3.83Å
227	L	95.1	Very high	95.6	Very high	3 Å²	3	55 Å²	55	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-42.3	176.8	-60.6	-176	0	0	0	112	V108 F220 I223 F224 A229 G230 L231 I233	V108-L227 HydrophobicContact CB-CB 4.38Å; V108-L227 HydrophobicContact CG1-CB 4.2Å; V108-L227 HydrophobicContact CG1-CD1 3.88Å; V108-L227 HydrophobicContact CG2-CB 3.84Å; F220-L227 HydrophobicContact CD2-CD1 4.47Å; F220-L227 HydrophobicContact CE2-CD1 3.67Å; F220-L227 HydrophobicContact CZ-CD1 4.37Å; I223-L227 HydrophobicContact CD1-CD1 3.31Å; I223-L227 HydrophobicContact CD1-CD2 3.87Å; I223-L227 HydrophobicContact CD1-CG 3.44Å; I223-L227 VanDerWaalsContact CD1-CG 3.44Å; I223-L227 PolarHBondContact O-N 3.43Å; I223-L227 VanDerWaalsContact O-N 3.11Å; F224-L227 PolarHBondContact O-N 3.39Å; L227-A229 VanDerWaalsContact C-N 3.31Å; L227-A229 PolarHBondContact O-N 3.01Å; L227-G230 WeakPolarHBondContact O-CA 3.38Å; L227-G230 PolarHBondContact O-N 3.35Å; L227-L231 WeakPolarHBondContact CD2-O 3.26Å; L227-I233 HydrophobicContact CD1-CD1 4.17Å; L227-I233 HydrophobicContact CD1-CG1 4.37Å; L227-I233 HydrophobicContact CD2-CB 3.73Å; L227-I233 HydrophobicContact CD2-CG1 4.03Å
228	V	92.2	Very high	95.6	Very high	39 Å²	39	57.8 Å²	57.8	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-41.5	174.8	173.6	0	0	0	0	110.7	T104 V108 F224 P225 G230 L494	T104-V228 HydrophobicContact CG2-CG1 4.36Å; T104-V228 HydrophobicContact CG2-CG2 3.91Å; V108-V228 HydrophobicContact CG2-CG2 3.96Å; F224-V228 HydrophobicContact CD1-CG2 3.68Å; F224-V228 HydrophobicContact CE1-CG2 3.53Å; F224-V228 WeakPolarHBondContact O-CG2 3.4Å; F224-V228 PolarHBondContact O-N 2.99Å; P225-V228 PolarHBondContact O-N 2.94Å; V228-G230 PolarHBondContact O-N 3.05Å; V228-G230 VanDerWaalsContact O-N 3.13Å; V228-L494 HydrophobicContact CB-CD2 4.49Å; V228-L494 HydrophobicContact CG1-CD2 4.5Å; V228-L494 HydrophobicContact CG2-CD2 3.95Å
229	A	88.7	Confident	95.6	Very high	59 Å²	59	54.3 Å²	54.3	49%	0.488	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.6	173.8	0	0	0	0	0	113.9	P225 A226 L227 L231	P225-A229 WeakPolarHBondContact O-CB 3.49Å; P225-A229 PolarHBondContact O-N 2.98Å; A226-A229 PolarHBondContact O-N 3.03Å; L227-A229 VanDerWaalsContact C-N 3.31Å; L227-A229 PolarHBondContact O-N 3.01Å; A229-L231 HydrophobicContact CB-CD1 4.27Å
230	G	88.9	Confident	95.6	Very high	38 Å²	38	53.8 Å²	53.8	39%	0.392	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	8.2	173.8	0	0	0	0	0	115.2	A226 L227 V228	A226-G230 PolarHBondContact O-N 2.86Å; L227-G230 WeakPolarHBondContact O-CA 3.38Å; L227-G230 PolarHBondContact O-N 3.35Å; V228-G230 PolarHBondContact O-N 3.05Å; V228-G230 VanDerWaalsContact O-N 3.13Å
231	L	91.6	Very high	95.6	Very high	77 Å²	77	56.5 Å²	56.5	40%	0.403	31%	0.313	S	S	.	.			trans	-70	134.2	175	-80.3	70.2	0	0	0	109.7	A226 L227 A229 I233 F236	A226-L231 HydrophobicContact CB-CB 4.31Å; A226-L231 HydrophobicContact CB-CD2 4.27Å; A226-L231 WeakPolarHBondContact O-CB 3.43Å; A226-L231 PolarHBondContact O-N 3.33Å; L227-L231 WeakPolarHBondContact CD2-O 3.26Å; A229-L231 HydrophobicContact CB-CD1 4.27Å; L231-I233 PolarHBondContact O-N 3.31Å; L231-F236 HydrophobicContact CB-CE2 4.03Å; L231-F236 HydrophobicContact CB-CZ 4.43Å; L231-F236 HydrophobicContact CD2-CE2 4.34Å; L231-F236 HydrophobicContact CD2-CZ 3.91Å
232	P	94.9	Very high	95.6	Very high	71 Å²	71	56.2 Å²	56.2	46%	0.461	31%	0.312	S	S	.	.			trans	-69.9	133.3	-179.9	23.2	-28.2	0	0	0	111.1	H234 L235	P232-H234 PolarHBondContact O-N 2.85Å; P232-L235 HydrophobicContact CG-CD1 3.83Å; P232-L235 HydrophobicContact CG-CG 3.97Å; P232-L235 WeakPolarHBondContact O-CB 3.41Å; P232-L235 PolarHBondContact O-N 2.98Å
233	I	96.7	Very high	95.7	Very high	13 Å²	13	50 Å²	50	7%	0.067	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.8	-178.5	-161.4	172.2	0	0	0	113.3	F220 I223 L227 L231 L235 F236 H240 R243	F220-I233 HydrophobicContact CD2-CD1 4.38Å; F220-I233 HydrophobicContact CE2-CD1 4.17Å; I223-I233 HydrophobicContact CD1-CG1 4.45Å; L227-I233 HydrophobicContact CD1-CD1 4.17Å; L227-I233 HydrophobicContact CD1-CG1 4.37Å; L227-I233 HydrophobicContact CD2-CB 3.73Å; L227-I233 HydrophobicContact CD2-CG1 4.03Å; L231-I233 PolarHBondContact O-N 3.31Å; I233-L235 PolarHBondContact O-N 3.45Å; I233-L235 VanDerWaalsContact O-N 3.12Å; I233-F236 CarbonylContact O-C 3.54Å; I233-F236 WeakPolarHBondContact O-CA 3.22Å; I233-F236 PolarHBondContact O-N 3.4Å; I233-H240 HydrophobicContact CD1-CB 4.33Å; I233-H240 HydrophobicContact CG1-CB 4Å; I233-R243 HydrophobicContact CD1-CB 4.23Å
234	H	95.5	Very high	95.7	Very high	132 Å²	132	51 Å²	51	61%	0.611	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-60.4	-19.8	177.5	-55.8	97.2	0	0	0	114	P232 F236 H240	P232-H234 PolarHBondContact O-N 2.85Å; H234-F236 PolarHBondContact O-N 3.27Å; H234-H240 AromaticContact CD2-CE1 3.82Å; H234-H240 AromaticContact NE2-CE1 3.96Å
235	L	96.8	Very high	95.8	Very high	118 Å²	118	56.1 Å²	56.1	62%	0.618	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.5	172	-61.5	175.9	0	0	0	112.5	P232 I233	P232-L235 HydrophobicContact CG-CD1 3.83Å; P232-L235 HydrophobicContact CG-CG 3.97Å; P232-L235 WeakPolarHBondContact O-CB 3.41Å; P232-L235 PolarHBondContact O-N 2.98Å; I233-L235 PolarHBondContact O-N 3.45Å; I233-L235 VanDerWaalsContact O-N 3.12Å
236	F	97.8	Very high	96	Very high	53 Å²	53	54.9 Å²	54.9	23%	0.232	30%	0.303	C	S	.	.			trans	-116	74	-175.9	-50.5	-76.4	0	0	0	109.8	I223 A226 L231 I233 H234 S238 A239 H240	I223-F236 HydrophobicContact CB-CD1 4.43Å; I223-F236 HydrophobicContact CB-CD2 4.43Å; I223-F236 HydrophobicContact CB-CG 4.27Å; I223-F236 HydrophobicContact CG1-CB 4.28Å; I223-F236 HydrophobicContact CG1-CG 4.33Å; I223-F236 HydrophobicContact CG2-CB 4.43Å; I223-F236 HydrophobicContact CG2-CD1 3.84Å; I223-F236 HydrophobicContact CG2-CE1 4.24Å; I223-F236 HydrophobicContact CG2-CG 4.08Å; A226-F236 HydrophobicContact CB-CE2 4.03Å; A226-F236 HydrophobicContact CB-CZ 3.83Å; L231-F236 HydrophobicContact CB-CE2 4.03Å; L231-F236 HydrophobicContact CB-CZ 4.43Å; L231-F236 HydrophobicContact CD2-CE2 4.34Å; L231-F236 HydrophobicContact CD2-CZ 3.91Å; I233-F236 CarbonylContact O-C 3.54Å; I233-F236 WeakPolarHBondContact O-CA 3.22Å; I233-F236 PolarHBondContact O-N 3.4Å; H234-F236 PolarHBondContact O-N 3.27Å; F236-S238 VanDerWaalsContact C-N 3.3Å; F236-S238 PolarHBondContact O-N 3.48Å; F236-A239 HydrophobicContact CB-CB 4Å; F236-A239 PolarHBondContact O-N 3.09Å; F236-H240 WeakPolarHBondContact O-CB 3.43Å; F236-H240 PolarHBondContact O-N 3.39Å
237	K	97.6	Very high	96.2	Very high	177 Å²	177	53.8 Å²	53.8	77%	0.77	29%	0.294	S	S	*	.	H	α-helix	trans	-53.5	-42.1	-172.3	-68.2	-176.9	179.9	178.8	0	113.9	S241	K237-S241 PolarHBondContact O-N 3.4Å
238	S	98.1	Very high	96.4	Very high	67 Å²	67	57.2 Å²	57.2	47%	0.469	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-52	178.6	51	0	0	0	0	111.5	E219 F236 H240 S241 A242	E219-S238 WeakPolarHBondContact OE1-CB 3.46Å; E219-S238 PolarHBondContact OE1-OG 3.21Å; F236-S238 VanDerWaalsContact C-N 3.3Å; F236-S238 PolarHBondContact O-N 3.48Å; S238-H240 VanDerWaalsContact C-N 3.34Å; S238-H240 PolarHBondContact O-N 2.86Å; S238-S241 PolarHBondContact O-N 2.82Å; S238-A242 WeakPolarHBondContact O-CB 3.22Å; S238-A242 PolarHBondContact O-N 3.47Å
239	A	98.1	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-35	177.9	0	0	0	0	0	113.4	E219 I223 F236 A242 R243	E219-A239 HydrophobicContact CG-CB 4.46Å; E219-A239 WeakPolarHBondContact O-CB 3.19Å; I223-A239 HydrophobicContact CD1-CB 3.82Å; I223-A239 HydrophobicContact CG1-CB 3.22Å; F236-A239 HydrophobicContact CB-CB 4Å; F236-A239 PolarHBondContact O-N 3.09Å; A239-A242 PolarHBondContact O-N 3.24Å; A239-R243 PolarHBondContact O-N 2.93Å
240	H	98.5	Very high	97.1	Very high	50 Å²	50	54.9 Å²	54.9	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-50.6	171.8	-175.1	-157.6	0	0	0	110.5	I233 H234 F236 S238 A242 R243 E244	I233-H240 HydrophobicContact CD1-CB 4.33Å; I233-H240 HydrophobicContact CG1-CB 4Å; H234-H240 AromaticContact CD2-CE1 3.82Å; H234-H240 AromaticContact NE2-CE1 3.96Å; F236-H240 WeakPolarHBondContact O-CB 3.43Å; F236-H240 PolarHBondContact O-N 3.39Å; S238-H240 VanDerWaalsContact C-N 3.34Å; S238-H240 PolarHBondContact O-N 2.86Å; H240-A242 VanDerWaalsContact C-N 3.29Å; H240-A242 PolarHBondContact O-N 3.12Å; H240-R243 PolarHBondContact O-N 3.39Å; H240-E244 IonicContact CD2-OE1 3.89Å; H240-E244 IonicContact NE2-OE1 3.43Å; H240-E244 WeakPolarHBondContact O-CG 3.39Å; H240-E244 PolarHBondContact O-N 3.4Å
241	S	98.6	Very high	97.5	Very high	57 Å²	57	53.5 Å²	53.5	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-40.7	176.4	-177.4	0	0	0	0	112	K237 S238 E244 K245	K237-S241 PolarHBondContact O-N 3.4Å; S238-S241 PolarHBondContact O-N 2.82Å; S241-E244 PolarHBondContact O-N 2.75Å; S241-K245 WeakPolarHBondContact O-CG 3.3Å; S241-K245 PolarHBondContact O-N 2.95Å
242	A	98.7	Very high	97.9	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-46.3	177.5	0	0	0	0	0	112	N216 E219 S238 A239 H240 E244 K245 L246	N216-A242 HydrophobicContact CB-CB 4.02Å; N216-A242 WeakPolarHBondContact O-CB 3.3Å; E219-A242 HydrophobicContact CB-CB 3.99Å; E219-A242 HydrophobicContact CG-CB 4.13Å; S238-A242 WeakPolarHBondContact O-CB 3.22Å; S238-A242 PolarHBondContact O-N 3.47Å; A239-A242 PolarHBondContact O-N 3.24Å; H240-A242 VanDerWaalsContact C-N 3.29Å; H240-A242 PolarHBondContact O-N 3.12Å; A242-E244 PolarHBondContact O-N 3.48Å; A242-K245 PolarHBondContact O-N 3.01Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.49Å; A242-L246 VanDerWaalsContact O-N 3.09Å
243	R	98.7	Very high	98	Very high	15 Å²	15	53.3 Å²	53.3	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-48.7	173.8	-170.4	-169.4	69.6	-174.2	-1.4	111.3	V108 F220 I233 A239 H240 K245 L246 V247	V108-R243 PolarHBondContact O-NH1 2.99Å; F220-R243 HydrophobicContact CD2-CB 3.72Å; F220-R243 HydrophobicContact CD2-CG 4.01Å; F220-R243 HydrophobicContact CE2-CB 4.07Å; F220-R243 HydrophobicContact CE2-CG 3.86Å; F220-R243 HydrophobicContact CG-CB 4.2Å; F220-R243 HydrophobicContact CG-CG 4.48Å; F220-R243 HydrophobicContact CZ-CG 4.22Å; I233-R243 HydrophobicContact CD1-CB 4.23Å; A239-R243 PolarHBondContact O-N 2.93Å; H240-R243 PolarHBondContact O-N 3.39Å; R243-K245 VanDerWaalsContact C-N 3.3Å; R243-K245 PolarHBondContact O-N 3.47Å; R243-L246 WeakPolarHBondContact O-CB 3.36Å; R243-L246 PolarHBondContact O-N 3.38Å; R243-L246 VanDerWaalsContact O-N 3.14Å; R243-V247 WeakPolarHBondContact O-CG2 3.27Å; R243-V247 PolarHBondContact O-N 2.97Å
244	E	98.6	Very high	97.9	Very high	42 Å²	42	54.9 Å²	54.9	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-33.7	-179	-62	-50.6	118.4	0	0	112.1	H240 S241 A242 V247 E248	H240-E244 IonicContact CD2-OE1 3.89Å; H240-E244 IonicContact NE2-OE1 3.43Å; H240-E244 WeakPolarHBondContact O-CG 3.39Å; H240-E244 PolarHBondContact O-N 3.4Å; S241-E244 PolarHBondContact O-N 2.75Å; A242-E244 PolarHBondContact O-N 3.48Å; E244-V247 WeakPolarHBondContact O-CB 3.3Å; E244-V247 PolarHBondContact O-N 2.88Å; E244-E248 WeakPolarHBondContact O-CG 3.19Å; E244-E248 PolarHBondContact O-N 2.86Å
245	K	98.7	Very high	98	Very high	114 Å²	114	48.6 Å²	48.6	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-39.2	172.2	-73.7	171.5	-178.8	178.3	0	112.6	N216 S241 A242 R243 V247 E248 A249	N216-K245 WeakPolarHBondContact OD1-CD 3.27Å; S241-K245 WeakPolarHBondContact O-CG 3.3Å; S241-K245 PolarHBondContact O-N 2.95Å; A242-K245 PolarHBondContact O-N 3.01Å; R243-K245 VanDerWaalsContact C-N 3.3Å; R243-K245 PolarHBondContact O-N 3.47Å; K245-V247 VanDerWaalsContact C-N 3.34Å; K245-E248 PolarHBondContact O-N 3.37Å; K245-A249 PolarHBondContact O-N 2.95Å
246	L	98.7	Very high	98	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-40.2	172.7	-66.1	169.1	0	0	0	111.4	A213 N216 F217 A242 R243 A249 L250 V288 L291	A213-L246 HydrophobicContact CB-CD2 4.21Å; N216-L246 HydrophobicContact CB-CD1 4.38Å; N216-L246 HydrophobicContact CB-CD2 4.05Å; N216-L246 HydrophobicContact CB-CG 3.93Å; F217-L246 HydrophobicContact CB-CD1 4.45Å; A242-L246 WeakPolarHBondContact O-CG 3.4Å; A242-L246 PolarHBondContact O-N 3.49Å; A242-L246 VanDerWaalsContact O-N 3.09Å; R243-L246 WeakPolarHBondContact O-CB 3.36Å; R243-L246 PolarHBondContact O-N 3.38Å; R243-L246 VanDerWaalsContact O-N 3.14Å; L246-A249 PolarHBondContact O-N 3.33Å; L246-L250 WeakPolarHBondContact O-CG 3.25Å; L246-L250 PolarHBondContact O-N 3.47Å; L246-L250 VanDerWaalsContact O-N 3.08Å; L246-V288 HydrophobicContact CB-CG1 4.41Å; L246-V288 HydrophobicContact CB-CG2 3.98Å; L246-V288 HydrophobicContact CD1-CG1 4.49Å; L246-L291 HydrophobicContact CD2-CD2 4.11Å
247	V	98.8	Very high	97.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-49	174.6	172.1	0	0	0	0	110.5	R243 E244 K245 A249 L250 L251 K281 A284 K285 V288	R243-V247 WeakPolarHBondContact O-CG2 3.27Å; R243-V247 PolarHBondContact O-N 2.97Å; E244-V247 WeakPolarHBondContact O-CB 3.3Å; E244-V247 PolarHBondContact O-N 2.88Å; K245-V247 VanDerWaalsContact C-N 3.34Å; V247-A249 VanDerWaalsContact C-N 3.3Å; V247-A249 PolarHBondContact O-N 2.98Å; V247-L250 CarbonylContact O-C 3.51Å; V247-L250 PolarHBondContact O-N 3.44Å; V247-L250 VanDerWaalsContact O-N 3.15Å; V247-L251 PolarHBondContact O-N 3.25Å; V247-K281 HydrophobicContact CG1-CB 4.29Å; V247-K281 HydrophobicContact CG1-CG 4.47Å; V247-A284 HydrophobicContact CG1-CB 3.8Å; V247-A284 WeakPolarHBondContact O-CB 3.48Å; V247-K285 HydrophobicContact CG1-CG 4.22Å; V247-K285 HydrophobicContact CG2-CG 3.47Å; V247-K285 VanDerWaalsContact CG2-CG 3.47Å; V247-V288 HydrophobicContact CG2-CG2 3.85Å
248	E	98.3	Very high	97.5	Very high	75 Å²	75	46.4 Å²	46.4	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-39	178.4	-67.1	-61.7	144.6	0	0	112	E244 K245 L250 L251 N254 K281	E244-E248 WeakPolarHBondContact O-CG 3.19Å; E244-E248 PolarHBondContact O-N 2.86Å; K245-E248 PolarHBondContact O-N 3.37Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.01Å; E248-L251 WeakPolarHBondContact OE2-CD1 3.49Å; E248-N254 PolarHBondContact O-ND2 3.1Å; E248-K281 VanDerWaalsContact OE1-CE 3.25Å; E248-K281 WeakPolarHBondContact OE1-CE 3.21Å; E248-K281 IonicContact OE1-NZ 3.71Å; E248-K281 PolarHBondContact OE1-NZ 2.97Å
249	A	96.9	Very high	97.3	Very high	48 Å²	48	46.6 Å²	46.6	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-34.2	176.6	0	0	0	0	0	113	K245 L246 V247	K245-A249 PolarHBondContact O-N 2.95Å; L246-A249 PolarHBondContact O-N 3.33Å; V247-A249 VanDerWaalsContact C-N 3.3Å; V247-A249 PolarHBondContact O-N 2.98Å
250	L	98.3	Very high	97.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	17.2	-175.1	-59.4	180	0	0	0	114.2	F184 F188 L246 V247 E248 L255 H287 V288 L291	F184-L250 HydrophobicContact CE2-CD2 4.15Å; F184-L250 HydrophobicContact CZ-CD2 4.19Å; F188-L250 HydrophobicContact CD1-CD2 3.73Å; F188-L250 HydrophobicContact CE1-CD1 4.25Å; F188-L250 HydrophobicContact CE1-CD2 4.02Å; F188-L250 HydrophobicContact CG-CD2 4.07Å; F188-L250 HydrophobicContact CZ-CD1 4.35Å; L246-L250 WeakPolarHBondContact O-CG 3.25Å; L246-L250 PolarHBondContact O-N 3.47Å; L246-L250 VanDerWaalsContact O-N 3.08Å; V247-L250 CarbonylContact O-C 3.51Å; V247-L250 PolarHBondContact O-N 3.44Å; V247-L250 VanDerWaalsContact O-N 3.15Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.01Å; L250-L255 HydrophobicContact CD2-CD2 3.95Å; L250-L255 WeakPolarHBondContact O-CD1 3.31Å; L250-H287 HydrophobicContact CB-CB 4.05Å; L250-H287 HydrophobicContact CD1-CB 4.08Å; L250-V288 HydrophobicContact CD1-CG2 3.9Å; L250-L291 HydrophobicContact CD1-CB 4.39Å; L250-L291 HydrophobicContact CD1-CD2 4.26Å
251	L	98.6	Very high	97	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	26%	0.26	C	S	.	.			trans	-59.5	142.7	168	-71.1	171	0	0	0	110.8	V247 E248 K253 N254 L255 D280 A284	V247-L251 PolarHBondContact O-N 3.25Å; E248-L251 WeakPolarHBondContact OE2-CD1 3.49Å; L251-K253 HydrophobicContact CB-CG 4.07Å; L251-K253 HydrophobicContact CD1-CD 4.44Å; L251-K253 PolarHBondContact O-N 3.18Å; L251-K253 VanDerWaalsContact O-N 3.16Å; L251-N254 WeakPolarHBondContact O-CA 3.45Å; L251-N254 WeakPolarHBondContact O-CB 3.18Å; L251-N254 PolarHBondContact O-N 2.94Å; L251-L255 PolarHBondContact O-N 2.84Å; L251-D280 HydrophobicContact CD2-CB 4.25Å; L251-D280 WeakPolarHBondContact CD2-O 3.43Å; L251-A284 HydrophobicContact CD2-CB 3.87Å; L251-A284 HydrophobicContact CG-CB 4.33Å
252	H	98.4	Very high	97	Very high	17 Å²	17	49.3 Å²	49.3	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-53.3	-41.1	178.9	-75.8	-161.4	0	0	0	111.8	N254 L255 L256 M269 D273 H287	H252-N254 PolarHBondContact O-N 3.32Å; H252-N254 VanDerWaalsContact O-N 3.13Å; H252-L255 PolarHBondContact O-N 3.11Å; H252-L256 WeakPolarHBondContact O-CB 3.42Å; H252-L256 WeakPolarHBondContact O-CG 3.43Å; H252-L256 PolarHBondContact O-N 2.81Å; H252-M269 HydrophobicContact CB-CE 4.25Å; H252-M269 PolarHBondContact CE1-O 3.31Å; H252-D273 IonicContact CE1-OD1 2.8Å; H252-D273 PolarHBondContact CE1-OD1 2.86Å; H252-D273 IonicContact CE1-OD2 3.47Å; H252-D273 IonicContact ND1-OD1 2.78Å; H252-D273 PolarHBondContact ND1-OD1 3.42Å; H252-D273 IonicContact ND1-OD2 3.88Å; H252-D273 PolarHBondContact ND1-OD2 3.17Å; H252-H287 AromaticContact CD2-CD2 3.9Å; H252-H287 AromaticContact CD2-NE2 3.46Å; H252-H287 PolarHBondContact CD2-NE2 3.25Å; H252-H287 AromaticContact NE2-CD2 3.86Å; H252-H287 AromaticContact NE2-NE2 3.07Å; H252-H287 PolarHBondContact NE2-NE2 3.45Å
253	K	97.4	Very high	96.9	Very high	128 Å²	128	53.4 Å²	53.4	56%	0.557	26%	0.263	S	S	*	.	H	α-helix	trans	-58.7	-25.1	176.1	75.8	-173.3	-177.1	-167	0	114.5	L251 K257	L251-K253 HydrophobicContact CB-CG 4.07Å; L251-K253 HydrophobicContact CD1-CD 4.44Å; L251-K253 PolarHBondContact O-N 3.18Å; L251-K253 VanDerWaalsContact O-N 3.16Å; K253-K257 VanDerWaalsContact O-CE 3.29Å; K253-K257 WeakPolarHBondContact O-CE 3.32Å
254	N	96.1	Very high	96.9	Very high	46 Å²	46	53 Å²	53	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-92.8	-40.7	177.7	-69.6	-23.8	0	0	0	110.6	E248 L251 H252 L256 K257	E248-N254 PolarHBondContact O-ND2 3.1Å; L251-N254 WeakPolarHBondContact O-CA 3.45Å; L251-N254 WeakPolarHBondContact O-CB 3.18Å; L251-N254 PolarHBondContact O-N 2.94Å; H252-N254 PolarHBondContact O-N 3.32Å; H252-N254 VanDerWaalsContact O-N 3.13Å; N254-L256 VanDerWaalsContact C-N 3.31Å; N254-L256 PolarHBondContact O-N 3.06Å; N254-K257 WeakPolarHBondContact O-CB 3.41Å; N254-K257 PolarHBondContact O-N 3.29Å; N254-K257 VanDerWaalsContact O-N 3.12Å; N254-K257 PolarHBondContact OD1-NZ 3.45Å
255	L	96.8	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-39.1	173.7	-67	177.3	0	0	0	112.5	F188 L250 L251 H252 K257 R258 L261 V265 M269	F188-L255 HydrophobicContact CB-CD2 4.41Å; F188-L255 HydrophobicContact CD1-CD2 4.04Å; L250-L255 HydrophobicContact CD2-CD2 3.95Å; L250-L255 WeakPolarHBondContact O-CD1 3.31Å; L251-L255 PolarHBondContact O-N 2.84Å; H252-L255 PolarHBondContact O-N 3.11Å; L255-K257 PolarHBondContact O-N 3.41Å; L255-K257 VanDerWaalsContact O-N 3.08Å; L255-R258 WeakPolarHBondContact O-CB 3.5Å; L255-R258 PolarHBondContact O-N 3.4Å; L255-L261 HydrophobicContact CD2-CD2 4.46Å; L255-V265 HydrophobicContact CD1-CG1 4.16Å; L255-M269 HydrophobicContact CB-CE 3.92Å; L255-M269 HydrophobicContact CB-SD 3.76Å; L255-M269 HydrophobicContact CD1-CG 4.22Å; L255-M269 HydrophobicContact CD1-SD 3.79Å; L255-M269 HydrophobicContact CG-SD 4.43Å
256	L	95.8	Very high	96.9	Very high	130 Å²	130	48.9 Å²	48.9	68%	0.681	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.1	176.8	-73.3	170.6	0	0	0	114.2	H252 N254 M269	H252-L256 WeakPolarHBondContact O-CB 3.42Å; H252-L256 WeakPolarHBondContact O-CG 3.43Å; H252-L256 PolarHBondContact O-N 2.81Å; N254-L256 VanDerWaalsContact C-N 3.31Å; N254-L256 PolarHBondContact O-N 3.06Å; L256-M269 HydrophobicContact CD2-CE 3.76Å; L256-M269 HydrophobicContact CG-CE 3.78Å
257	K	93.1	Very high	96.9	Very high	143 Å²	143	50.1 Å²	50.1	62%	0.622	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.8	174.7	-59.7	171.5	-176	166.3	0	112.5	K253 N254 L255	K253-K257 VanDerWaalsContact O-CE 3.29Å; K253-K257 WeakPolarHBondContact O-CE 3.32Å; N254-K257 WeakPolarHBondContact O-CB 3.41Å; N254-K257 PolarHBondContact O-N 3.29Å; N254-K257 VanDerWaalsContact O-N 3.12Å; N254-K257 PolarHBondContact OD1-NZ 3.45Å; L255-K257 PolarHBondContact O-N 3.41Å; L255-K257 VanDerWaalsContact O-N 3.08Å
258	R	93.4	Very high	96.9	Very high	29 Å²	29	50.2 Å²	50.2	11%	0.109	26%	0.256	C	S	.	.			trans	-93.8	145	-177.3	-53.3	-176.3	71.2	78.3	9.6	109.8	F188 G189 T190 E191 E206 L255 L261	F188-R258 WeakPolarHBondContact O-CD 3.17Å; F188-R258 PolarHBondContact O-NE 3.49Å; G189-R258 PolarHBondContact O-NE 3.22Å; G189-R258 PolarHBondContact O-NH2 3.49Å; T190-R258 CarbonylContact O-C 3.53Å; T190-R258 VanDerWaalsContact O-CA 3.29Å; T190-R258 WeakPolarHBondContact O-CA 3.26Å; E191-R258 IonicContact OE1-NH1 3.04Å; E191-R258 PolarHBondContact OE1-NH1 3.42Å; E206-R258 IonicContact OE1-CZ 3.71Å; E206-R258 IonicContact OE1-NH2 3.64Å; E206-R258 PolarHBondContact OE1-NH2 2.93Å; L255-R258 WeakPolarHBondContact O-CB 3.5Å; L255-R258 PolarHBondContact O-N 3.4Å; R258-L261 HydrophobicContact CB-CD2 4.22Å
259	N	92.6	Very high	96.9	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-95.2	157.4	175.9	-56.3	-67.8	0	0	0	110.1	G189 T190 L261	G189-N259 CarbonylContact C-O 3.6Å; G189-N259 WeakPolarHBondContact CA-O 3.25Å; T190-N259 PolarHBondContact N-O 3.48Å; T190-N259 PolarHBondContact O-N 2.98Å; N259-L261 VanDerWaalsContact C-N 3.29Å; N259-L261 PolarHBondContact O-N 3.12Å
260	N	93.9	Very high	97	Very high	117 Å²	117	50.9 Å²	50.9	63%	0.626	25%	0.25	S	C	*	.	S	Bend	trans	55.9	39.7	174.4	-53.6	-24.8	0	0	0	113.7	G189	G189-N260 WeakPolarHBondContact CA-O 3.29Å
261	L	96.8	Very high	97	Very high	37 Å²	37	52 Å²	52	19%	0.194	26%	0.255	C	S	.	.			trans	-58.9	139.7	168.3	-67.5	173.8	0	0	0	109.7	F188 L255 R258 N259 V265 T266 M269	F188-L261 VanDerWaalsContact C-CD2 3.42Å; F188-L261 WeakPolarHBondContact O-CD2 3.34Å; L255-L261 HydrophobicContact CD2-CD2 4.46Å; R258-L261 HydrophobicContact CB-CD2 4.22Å; N259-L261 VanDerWaalsContact C-N 3.29Å; N259-L261 PolarHBondContact O-N 3.12Å; L261-V265 HydrophobicContact CD2-CG1 4.12Å; L261-T266 WeakPolarHBondContact CB-OG1 3.43Å; L261-M269 HydrophobicContact CD1-SD 4.04Å
262	S	97.9	Very high	97	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.063	25%	0.254	C	S	.	.			trans	-60.1	154.7	173	61.7	0	0	0	0	112	L187 L264 V265 T266	L187-S262 WeakPolarHBondContact O-CB 3.36Å; L187-S262 PolarHBondContact O-N 3.21Å; L187-S262 PolarHBondContact O-OG 3.09Å; S262-L264 PolarHBondContact O-N 3.01Å; S262-V265 PolarHBondContact O-N 2.91Å; S262-V265 WeakPolarHBondContact OG-CG2 3.37Å; S262-V265 PolarHBondContact OG-N 3.5Å; S262-V265 VanDerWaalsContact OG-N 3.15Å; S262-T266 WeakPolarHBondContact O-CB 3.3Å; S262-T266 PolarHBondContact O-N 3.33Å; S262-T266 PolarHBondContact O-OG1 3.46Å
263	E	97.9	Very high	96.9	Very high	89 Å²	89	55 Å²	55	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-34.9	172.4	-168.4	-175.8	161.2	0	0	110.8	T132 A137 L267	T132-E263 HydrophobicContact CG2-CB 4.39Å; T132-E263 HydrophobicContact CG2-CG 4.01Å; A137-E263 WeakPolarHBondContact CB-OE2 3.48Å; E263-L267 WeakPolarHBondContact O-CB 3.24Å; E263-L267 PolarHBondContact O-N 3.45Å
264	L	98.4	Very high	97	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-56.6	173.9	171.7	59.1	0	0	0	111.6	F129 T132 L133 L187 S262 R268 V290	F129-L264 HydrophobicContact CD1-CD1 3.64Å; F129-L264 HydrophobicContact CE1-CD1 3.89Å; T132-L264 WeakPolarHBondContact OG1-CD1 3.35Å; L133-L264 HydrophobicContact CD1-CD2 4.23Å; L133-L264 HydrophobicContact CD2-CD2 4Å; L133-L264 HydrophobicContact CG-CD2 4.26Å; L187-L264 HydrophobicContact CD2-CD2 4.49Å; S262-L264 PolarHBondContact O-N 3.01Å; L264-R268 HydrophobicContact CD1-CG 3.78Å; L264-R268 VanDerWaalsContact O-CB 3.25Å; L264-R268 WeakPolarHBondContact O-CB 3.21Å; L264-R268 WeakPolarHBondContact O-CG 3.37Å; L264-R268 PolarHBondContact O-N 3.47Å; L264-V290 HydrophobicContact CD2-CG1 3.82Å
265	V	98.4	Very high	97.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-41.6	-176.9	172.6	0	0	0	0	110.6	L187 F188 L255 L261 S262 R268 M269	L187-V265 HydrophobicContact CB-CG2 4.46Å; L187-V265 WeakPolarHBondContact O-CG2 3.47Å; F188-V265 HydrophobicContact CD1-CG1 4.15Å; F188-V265 HydrophobicContact CD1-CG2 3.74Å; F188-V265 HydrophobicContact CE1-CG1 4.49Å; F188-V265 HydrophobicContact CE1-CG2 3.67Å; F188-V265 HydrophobicContact CG-CG2 4.49Å; F188-V265 HydrophobicContact CZ-CG2 4.37Å; L255-V265 HydrophobicContact CD1-CG1 4.16Å; L261-V265 HydrophobicContact CD2-CG1 4.12Å; S262-V265 PolarHBondContact O-N 2.91Å; S262-V265 WeakPolarHBondContact OG-CG2 3.37Å; S262-V265 PolarHBondContact OG-N 3.5Å; S262-V265 VanDerWaalsContact OG-N 3.15Å; V265-R268 PolarHBondContact O-N 3.21Å; V265-M269 HydrophobicContact CG1-CG 4.41Å; V265-M269 HydrophobicContact CG1-SD 4.01Å; V265-M269 VanDerWaalsContact O-CG 3.29Å; V265-M269 WeakPolarHBondContact O-CG 3.48Å; V265-M269 PolarHBondContact O-N 3.4Å
266	T	98.3	Very high	97.1	Very high	70 Å²	70	54.4 Å²	54.4	43%	0.429	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-48.6	178.7	-55.5	0	0	0	0	111.8	L261 S262 M269 F270	L261-T266 WeakPolarHBondContact CB-OG1 3.43Å; S262-T266 WeakPolarHBondContact O-CB 3.3Å; S262-T266 PolarHBondContact O-N 3.33Å; S262-T266 PolarHBondContact O-OG1 3.46Å; T266-M269 PolarHBondContact O-N 3.44Å; T266-F270 PolarHBondContact O-N 2.99Å; T266-F270 VanDerWaalsContact O-N 3.1Å
267	L	98.4	Very high	97.2	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-41.5	177.7	-179.5	58.3	0	0	0	111.2	T128 T132 E263 M269 F270 L271	T128-L267 HydrophobicContact CG2-CD2 3.84Å; T128-L267 HydrophobicContact CG2-CG 4.09Å; T132-L267 HydrophobicContact CG2-CB 4.34Å; T132-L267 HydrophobicContact CG2-CD2 3.7Å; E263-L267 WeakPolarHBondContact O-CB 3.24Å; E263-L267 PolarHBondContact O-N 3.45Å; L267-M269 VanDerWaalsContact C-N 3.34Å; L267-M269 PolarHBondContact O-N 3.33Å; L267-F270 HydrophobicContact CD1-CD1 4.44Å; L267-F270 PolarHBondContact O-N 3.07Å; L267-L271 HydrophobicContact CD1-CD1 4Å; L267-L271 HydrophobicContact CD1-CD2 4.3Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CD2-CD1 4.45Å; L267-L271 HydrophobicContact CG-CD1 3.84Å; L267-L271 HydrophobicContact CG-CG 4.2Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.15Å
268	R	98.4	Very high	97.5	Very high	3 Å²	3	47 Å²	47	1%	0.011	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-38.3	177.1	-75	-67.7	-45.6	-48.1	-17.7	112.5	E123 T128 L264 V265 N272 T286	E123-R268 VanDerWaalsContact OE1-CD 3.29Å; E123-R268 WeakPolarHBondContact OE1-CD 3.44Å; E123-R268 IonicContact OE1-NE 2.76Å; E123-R268 IonicContact OE2-NE 2.92Å; T128-R268 HydrophobicContact CG2-CG 4.14Å; L264-R268 HydrophobicContact CD1-CG 3.78Å; L264-R268 VanDerWaalsContact O-CB 3.25Å; L264-R268 WeakPolarHBondContact O-CB 3.21Å; L264-R268 WeakPolarHBondContact O-CG 3.37Å; L264-R268 PolarHBondContact O-N 3.47Å; V265-R268 PolarHBondContact O-N 3.21Å; R268-N272 VanDerWaalsContact O-CB 3.23Å; R268-N272 WeakPolarHBondContact O-CB 3.34Å; R268-N272 VanDerWaalsContact O-CG 3.25Å; R268-N272 PolarHBondContact O-N 2.96Å; R268-N272 PolarHBondContact O-ND2 2.88Å; R268-T286 PolarHBondContact NH1-O 2.99Å; R268-T286 PolarHBondContact NH2-OG1 2.82Å
269	M	98.6	Very high	97.7	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.059	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-49.3	172.2	-72.6	170.9	63.1	0	0	110.8	H252 L255 L256 L261 V265 T266 L267 L271 N272 D273	H252-M269 HydrophobicContact CB-CE 4.25Å; H252-M269 PolarHBondContact CE1-O 3.31Å; L255-M269 HydrophobicContact CB-CE 3.92Å; L255-M269 HydrophobicContact CB-SD 3.76Å; L255-M269 HydrophobicContact CD1-CG 4.22Å; L255-M269 HydrophobicContact CD1-SD 3.79Å; L255-M269 HydrophobicContact CG-SD 4.43Å; L256-M269 HydrophobicContact CD2-CE 3.76Å; L256-M269 HydrophobicContact CG-CE 3.78Å; L261-M269 HydrophobicContact CD1-SD 4.04Å; V265-M269 HydrophobicContact CG1-CG 4.41Å; V265-M269 HydrophobicContact CG1-SD 4.01Å; V265-M269 VanDerWaalsContact O-CG 3.29Å; V265-M269 WeakPolarHBondContact O-CG 3.48Å; V265-M269 PolarHBondContact O-N 3.4Å; T266-M269 PolarHBondContact O-N 3.44Å; L267-M269 VanDerWaalsContact C-N 3.34Å; L267-M269 PolarHBondContact O-N 3.33Å; M269-L271 PolarHBondContact O-N 3.08Å; M269-N272 WeakPolarHBondContact O-CB 3.1Å; M269-N272 PolarHBondContact O-N 2.73Å; M269-D273 PolarHBondContact O-N 2.92Å
270	F	98.6	Very high	98	Very high	125 Å²	125	51.6 Å²	51.6	55%	0.548	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-45.1	177.8	176.7	-95.6	0	0	0	112.9	T266 L267 D273 T274	T266-F270 PolarHBondContact O-N 2.99Å; T266-F270 VanDerWaalsContact O-N 3.1Å; L267-F270 HydrophobicContact CD1-CD1 4.44Å; L267-F270 PolarHBondContact O-N 3.07Å; F270-D273 PolarHBondContact O-N 3.3Å; F270-T274 HydrophobicContact CD2-CG2 4.18Å; F270-T274 HydrophobicContact CE1-CG2 4.14Å; F270-T274 HydrophobicContact CE2-CG2 3.79Å; F270-T274 HydrophobicContact CZ-CG2 3.77Å; F270-T274 WeakPolarHBondContact O-CB 3.14Å; F270-T274 WeakPolarHBondContact O-CG2 3.48Å; F270-T274 PolarHBondContact O-N 2.94Å; F270-T274 PolarHBondContact O-OG1 3.22Å
271	L	98.4	Very high	98.2	Very high	24 Å²	24	50.4 Å²	50.4	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-70.5	-35.8	180	-63.8	176.4	0	0	0	112.2	E123 T128 L267 M269 D273 T274 L275	E123-L271 HydrophobicContact CG-CB 4.47Å; E123-L271 HydrophobicContact CG-CD1 4.01Å; E123-L271 WeakPolarHBondContact OE1-CD1 3.21Å; T128-L271 HydrophobicContact CG2-CD1 3.88Å; T128-L271 WeakPolarHBondContact OG1-CD1 3.5Å; L267-L271 HydrophobicContact CD1-CD1 4Å; L267-L271 HydrophobicContact CD1-CD2 4.3Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CD2-CD1 4.45Å; L267-L271 HydrophobicContact CG-CD1 3.84Å; L267-L271 HydrophobicContact CG-CG 4.2Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.15Å; M269-L271 PolarHBondContact O-N 3.08Å; L271-D273 VanDerWaalsContact C-N 3.26Å; L271-D273 PolarHBondContact O-N 3.42Å; L271-T274 PolarHBondContact O-N 3.21Å; L271-L275 HydrophobicContact CD2-CD1 3.68Å; L271-L275 HydrophobicContact CD2-CG 4.16Å; L271-L275 WeakPolarHBondContact O-CA 3.39Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 PolarHBondContact O-N 3.34Å
272	N	98.3	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-40	169.6	-85	-12.3	0	0	0	111.2	R268 M269 S276 K283 T286	R268-N272 VanDerWaalsContact O-CB 3.23Å; R268-N272 WeakPolarHBondContact O-CB 3.34Å; R268-N272 VanDerWaalsContact O-CG 3.25Å; R268-N272 PolarHBondContact O-N 2.96Å; R268-N272 PolarHBondContact O-ND2 2.88Å; M269-N272 WeakPolarHBondContact O-CB 3.1Å; M269-N272 PolarHBondContact O-N 2.73Å; N272-S276 PolarHBondContact O-OG 2.85Å; N272-K283 HydrophobicContact CB-CB 4.39Å; N272-K283 HydrophobicContact CB-CD 4.13Å; N272-K283 HydrophobicContact CB-CG 3.9Å; N272-K283 WeakPolarHBondContact O-CE 3.39Å; N272-T286 PolarHBondContact ND2-OG1 2.95Å
273	D	98	Very high	98.3	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-78.9	-24.9	-178.5	-67.8	-25.2	0	0	0	113.7	H252 M269 F270 L271 K283	H252-D273 IonicContact CE1-OD1 2.8Å; H252-D273 PolarHBondContact CE1-OD1 2.86Å; H252-D273 IonicContact CE1-OD2 3.47Å; H252-D273 IonicContact ND1-OD1 2.78Å; H252-D273 PolarHBondContact ND1-OD1 3.42Å; H252-D273 IonicContact ND1-OD2 3.88Å; H252-D273 PolarHBondContact ND1-OD2 3.17Å; M269-D273 PolarHBondContact O-N 2.92Å; F270-D273 PolarHBondContact O-N 3.3Å; L271-D273 VanDerWaalsContact C-N 3.26Å; L271-D273 PolarHBondContact O-N 3.42Å; D273-K283 WeakPolarHBondContact OD1-CE 3.36Å; D273-K283 IonicContact OD1-NZ 3.82Å; D273-K283 PolarHBondContact OD1-NZ 3Å
274	T	98	Very high	98.4	Very high	74 Å²	74	47.3 Å²	47.3	45%	0.454	25%	0.25	S	C	.	.	H	α-helix	trans	-108.7	-30.6	-172.4	54.1	0	0	0	0	114.8	F270 L271	F270-T274 HydrophobicContact CD2-CG2 4.18Å; F270-T274 HydrophobicContact CE1-CG2 4.14Å; F270-T274 HydrophobicContact CE2-CG2 3.79Å; F270-T274 HydrophobicContact CZ-CG2 3.77Å; F270-T274 WeakPolarHBondContact O-CB 3.14Å; F270-T274 WeakPolarHBondContact O-CG2 3.48Å; F270-T274 PolarHBondContact O-N 2.94Å; F270-T274 PolarHBondContact O-OG1 3.22Å; L271-T274 PolarHBondContact O-N 3.21Å
275	L	97.9	Very high	98.4	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-118.4	4.7	-173	-58.4	-171	0	0	0	113.6	T121 T122 L271	T121-L275 CarbonylContact C-O 3.44Å; T121-L275 WeakPolarHBondContact CA-O 3.03Å; T121-L275 WeakPolarHBondContact CB-O 3.47Å; T121-L275 PolarHBondContact OG1-O 3.08Å; T122-L275 PolarHBondContact N-O 3.12Å; L271-L275 HydrophobicContact CD2-CD1 3.68Å; L271-L275 HydrophobicContact CD2-CG 4.16Å; L271-L275 WeakPolarHBondContact O-CA 3.39Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 PolarHBondContact O-N 3.34Å
276	S	97.9	Very high	98.4	Very high	19 Å²	19	48.7 Å²	48.7	13%	0.133	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-128.2	156.9	179.2	90.7	0	0	0	0	112.7	N120 N272 F278	N120-S276 CarbonylContact O-C 3.49Å; N120-S276 VanDerWaalsContact O-CA 3.25Å; N120-S276 WeakPolarHBondContact O-CA 3.34Å; N272-S276 PolarHBondContact O-OG 2.85Å; S276-F278 WeakPolarHBondContact OG-CD2 3.38Å; S276-F278 PolarHBondContact OG-N 3.13Å
277	T	97.9	Very high	98.4	Very high	108 Å²	108	45.4 Å²	45.4	66%	0.663	24%	0.236	S	C	*	.			trans	-101.9	13.3	171.6	55.8	0	0	0	0	112.4	N120	N120-T277 PolarHBondContact O-N 2.81Å; N120-T277 PolarHBondContact O-OG1 3.03Å
278	F	98.3	Very high	98.4	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.039	23%	0.229	C	C	.	.			trans	-63.1	141.4	-178.5	-69.6	-41.9	0	0	0	112.2	I114 N120 T121 S276 E282 K283 T286	I114-F278 HydrophobicContact CG2-CE2 4.09Å; I114-F278 HydrophobicContact CG2-CZ 3.76Å; N120-F278 HydrophobicContact CB-CD1 4.42Å; N120-F278 HydrophobicContact CB-CE1 3.68Å; N120-F278 HydrophobicContact CB-CZ 4.02Å; T121-F278 HydrophobicContact CG2-CE2 4.32Å; T121-F278 HydrophobicContact CG2-CZ 4.41Å; S276-F278 WeakPolarHBondContact OG-CD2 3.38Å; S276-F278 PolarHBondContact OG-N 3.13Å; F278-E282 WeakPolarHBondContact CA-OE2 3.34Å; F278-E282 HydrophobicContact CB-CB 3.68Å; F278-E282 HydrophobicContact CD1-CB 3.92Å; F278-E282 HydrophobicContact CD1-CG 4.46Å; F278-E282 HydrophobicContact CG-CB 3.97Å; F278-K283 HydrophobicContact CB-CG 3.87Å; F278-K283 VanDerWaalsContact O-CE 3.22Å; F278-K283 WeakPolarHBondContact O-CE 3.14Å; F278-T286 HydrophobicContact CD2-CG2 4.41Å; F278-T286 HydrophobicContact CE2-CG2 4.36Å
279	D	98.4	Very high	98.4	Very high	88 Å²	88	44.8 Å²	44.8	47%	0.471	24%	0.235	S	C	.	.			trans	-70.6	169.7	168.3	76.7	33.9	0	0	0	111.8	K281 E282 K283	D279-K281 PolarHBondContact O-N 3.08Å; D279-K281 WeakPolarHBondContact OD1-CA 3.47Å; D279-K281 WeakPolarHBondContact OD1-CB 3.45Å; D279-K281 PolarHBondContact OD1-N 3.16Å; D279-E282 PolarHBondContact N-OE2 3.48Å; D279-E282 VanDerWaalsContact N-OE2 3.09Å; D279-E282 PolarHBondContact O-N 2.91Å; D279-E282 VanDerWaalsContact O-N 3.15Å; D279-E282 PolarHBondContact OD1-N 2.94Å; D279-K283 WeakPolarHBondContact O-CG 3.42Å; D279-K283 PolarHBondContact O-N 3.35Å
280	D	98.5	Very high	98.4	Very high	110 Å²	110	44.7 Å²	44.7	59%	0.588	24%	0.235	S	C	*	.	H	α-helix	trans	-55.7	-36	-178	-72.8	-13.6	0	0	0	113.4	L251 A284	L251-D280 HydrophobicContact CD2-CB 4.25Å; L251-D280 WeakPolarHBondContact CD2-O 3.43Å; D280-A284 PolarHBondContact O-N 3.38Å; D280-A284 VanDerWaalsContact O-N 3.14Å
281	K	98.6	Very high	98.4	Very high	92 Å²	92	38.8 Å²	38.8	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-76.2	-38.7	179.6	-70.8	-167.8	169.6	-158.5	0	111.3	V247 E248 D279 A284 K285	V247-K281 HydrophobicContact CG1-CB 4.29Å; V247-K281 HydrophobicContact CG1-CG 4.47Å; E248-K281 VanDerWaalsContact OE1-CE 3.25Å; E248-K281 WeakPolarHBondContact OE1-CE 3.21Å; E248-K281 IonicContact OE1-NZ 3.71Å; E248-K281 PolarHBondContact OE1-NZ 2.97Å; D279-K281 PolarHBondContact O-N 3.08Å; D279-K281 WeakPolarHBondContact OD1-CA 3.47Å; D279-K281 WeakPolarHBondContact OD1-CB 3.45Å; D279-K281 PolarHBondContact OD1-N 3.16Å; K281-A284 PolarHBondContact O-N 3.4Å; K281-K285 VanDerWaalsContact O-CG 3.25Å; K281-K285 WeakPolarHBondContact O-CG 3.24Å; K281-K285 PolarHBondContact O-N 2.91Å
282	E	98.5	Very high	98.5	Very high	42 Å²	42	39 Å²	39	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-44.7	173.8	-71.4	-174.4	113.7	0	0	111.2	H111 G112 F278 D279 A284 K285 T286	H111-E282 HydrophobicContact CB-CB 4.48Å; G112-E282 WeakPolarHBondContact CA-OE1 3.34Å; G112-E282 PolarHBondContact N-OE1 3.29Å; F278-E282 WeakPolarHBondContact CA-OE2 3.34Å; F278-E282 HydrophobicContact CB-CB 3.68Å; F278-E282 HydrophobicContact CD1-CB 3.92Å; F278-E282 HydrophobicContact CD1-CG 4.46Å; F278-E282 HydrophobicContact CG-CB 3.97Å; D279-E282 PolarHBondContact N-OE2 3.48Å; D279-E282 VanDerWaalsContact N-OE2 3.09Å; D279-E282 PolarHBondContact O-N 2.91Å; D279-E282 VanDerWaalsContact O-N 3.15Å; D279-E282 PolarHBondContact OD1-N 2.94Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.87Å; E282-K285 WeakPolarHBondContact O-CB 3.39Å; E282-K285 PolarHBondContact O-N 3.35Å; E282-K285 VanDerWaalsContact O-N 3.14Å; E282-T286 VanDerWaalsContact O-CG2 3.26Å; E282-T286 WeakPolarHBondContact O-CG2 3.39Å; E282-T286 PolarHBondContact O-N 3.05Å
283	K	98.8	Very high	98.5	Very high	27 Å²	27	42 Å²	42	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-55.1	-48.4	172.3	-66.9	177.4	-178.2	175.1	0	111.2	N272 D273 F278 D279 K285 T286 H287	N272-K283 HydrophobicContact CB-CB 4.39Å; N272-K283 HydrophobicContact CB-CD 4.13Å; N272-K283 HydrophobicContact CB-CG 3.9Å; N272-K283 WeakPolarHBondContact O-CE 3.39Å; D273-K283 WeakPolarHBondContact OD1-CE 3.36Å; D273-K283 IonicContact OD1-NZ 3.82Å; D273-K283 PolarHBondContact OD1-NZ 3Å; F278-K283 HydrophobicContact CB-CG 3.87Å; F278-K283 VanDerWaalsContact O-CE 3.22Å; F278-K283 WeakPolarHBondContact O-CE 3.14Å; D279-K283 WeakPolarHBondContact O-CG 3.42Å; D279-K283 PolarHBondContact O-N 3.35Å; K283-K285 PolarHBondContact O-N 2.92Å; K283-T286 WeakPolarHBondContact O-CB 3.47Å; K283-T286 PolarHBondContact O-N 3.2Å; K283-T286 PolarHBondContact O-OG1 3Å; K283-H287 PolarHBondContact O-CD2 3.08Å; K283-H287 PolarHBondContact O-N 3.33Å
284	A	98.8	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-38.9	176.1	0	0	0	0	0	113.7	V247 L251 D280 K281 E282 T286 H287 V288	V247-A284 HydrophobicContact CG1-CB 3.8Å; V247-A284 WeakPolarHBondContact O-CB 3.48Å; L251-A284 HydrophobicContact CD2-CB 3.87Å; L251-A284 HydrophobicContact CG-CB 4.33Å; D280-A284 PolarHBondContact O-N 3.38Å; D280-A284 VanDerWaalsContact O-N 3.14Å; K281-A284 PolarHBondContact O-N 3.4Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.87Å; A284-T286 PolarHBondContact O-N 3.17Å; A284-H287 CarbonylContact O-C 3.46Å; A284-H287 WeakPolarHBondContact O-CA 3.35Å; A284-H287 WeakPolarHBondContact O-CB 3.38Å; A284-H287 PolarHBondContact O-N 2.96Å; A284-V288 PolarHBondContact O-N 2.95Å
285	K	98.8	Very high	98.5	Very high	30 Å²	30	35.4 Å²	35.4	13%	0.13	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-33.1	174.5	-73.8	164.8	175.8	171.4	0	112.2	F109 G110 H111 V247 K281 E282 K283 H287 V288 A289	F109-K285 WeakPolarHBondContact O-CD 3.25Å; F109-K285 WeakPolarHBondContact O-CG 3.45Å; G110-K285 VanDerWaalsContact O-CD 3.22Å; G110-K285 WeakPolarHBondContact O-CD 3.09Å; G110-K285 WeakPolarHBondContact O-CE 3.28Å; G110-K285 PolarHBondContact O-NZ 3.08Å; H111-K285 HydrophobicContact CB-CB 4.04Å; H111-K285 HydrophobicContact CB-CD 4.37Å; V247-K285 HydrophobicContact CG1-CG 4.22Å; V247-K285 HydrophobicContact CG2-CG 3.47Å; V247-K285 VanDerWaalsContact CG2-CG 3.47Å; K281-K285 VanDerWaalsContact O-CG 3.25Å; K281-K285 WeakPolarHBondContact O-CG 3.24Å; K281-K285 PolarHBondContact O-N 2.91Å; E282-K285 WeakPolarHBondContact O-CB 3.39Å; E282-K285 PolarHBondContact O-N 3.35Å; E282-K285 VanDerWaalsContact O-N 3.14Å; K283-K285 PolarHBondContact O-N 2.92Å; K285-H287 VanDerWaalsContact C-N 3.25Å; K285-H287 PolarHBondContact O-N 3.27Å; K285-V288 PolarHBondContact O-N 3.35Å; K285-A289 PolarHBondContact O-N 2.91Å
286	T	98.7	Very high	98.6	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-25.5	172.7	78.1	0	0	0	0	113.3	R268 N272 F278 E282 K283 A284 V290	R268-T286 PolarHBondContact NH1-O 2.99Å; R268-T286 PolarHBondContact NH2-OG1 2.82Å; N272-T286 PolarHBondContact ND2-OG1 2.95Å; F278-T286 HydrophobicContact CD2-CG2 4.41Å; F278-T286 HydrophobicContact CE2-CG2 4.36Å; E282-T286 VanDerWaalsContact O-CG2 3.26Å; E282-T286 WeakPolarHBondContact O-CG2 3.39Å; E282-T286 PolarHBondContact O-N 3.05Å; K283-T286 WeakPolarHBondContact O-CB 3.47Å; K283-T286 PolarHBondContact O-N 3.2Å; K283-T286 PolarHBondContact O-OG1 3Å; A284-T286 PolarHBondContact O-N 3.17Å; T286-V290 PolarHBondContact O-N 3.35Å
287	H	98.8	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80.5	-35.2	172.3	-64.6	-46.4	0	0	0	111.7	F188 L250 H252 K283 A284 K285 A289 V290 L291	F188-H287 HydrophobicContact CE1-CB 4.17Å; L250-H287 HydrophobicContact CB-CB 4.05Å; L250-H287 HydrophobicContact CD1-CB 4.08Å; H252-H287 AromaticContact CD2-CD2 3.9Å; H252-H287 AromaticContact CD2-NE2 3.46Å; H252-H287 PolarHBondContact CD2-NE2 3.25Å; H252-H287 AromaticContact NE2-CD2 3.86Å; H252-H287 AromaticContact NE2-NE2 3.07Å; H252-H287 PolarHBondContact NE2-NE2 3.45Å; K283-H287 PolarHBondContact O-CD2 3.08Å; K283-H287 PolarHBondContact O-N 3.33Å; A284-H287 CarbonylContact O-C 3.46Å; A284-H287 WeakPolarHBondContact O-CA 3.35Å; A284-H287 WeakPolarHBondContact O-CB 3.38Å; A284-H287 PolarHBondContact O-N 2.96Å; K285-H287 VanDerWaalsContact C-N 3.25Å; K285-H287 PolarHBondContact O-N 3.27Å; H287-A289 PolarHBondContact O-N 3.31Å; H287-V290 WeakPolarHBondContact O-CB 3.5Å; H287-V290 PolarHBondContact O-N 2.85Å; H287-V290 VanDerWaalsContact O-N 3.09Å; H287-L291 PolarHBondContact O-N 3.1Å
288	V	98.8	Very high	98.6	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-37.3	169	178.6	0	0	0	0	110.8	F109 L246 V247 L250 A284 K285 L291 W292	F109-V288 HydrophobicContact CD1-CG1 4.04Å; F109-V288 HydrophobicContact CE1-CG1 4.4Å; L246-V288 HydrophobicContact CB-CG1 4.41Å; L246-V288 HydrophobicContact CB-CG2 3.98Å; L246-V288 HydrophobicContact CD1-CG1 4.49Å; V247-V288 HydrophobicContact CG2-CG2 3.85Å; L250-V288 HydrophobicContact CD1-CG2 3.9Å; A284-V288 PolarHBondContact O-N 2.95Å; K285-V288 PolarHBondContact O-N 3.35Å; V288-L291 PolarHBondContact O-N 3.16Å; V288-W292 PolarHBondContact O-N 3.21Å
289	A	98.8	Very high	98.7	Very high	16 Å²	16	28.9 Å²	28.9	13%	0.132	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-39.4	173.2	0	0	0	0	0	112.7	F109 K285 H287 W292 A293	F109-A289 HydrophobicContact CD1-CB 4.19Å; F109-A289 HydrophobicContact CD2-CB 3.64Å; F109-A289 HydrophobicContact CE1-CB 4.22Å; F109-A289 HydrophobicContact CE2-CB 3.71Å; F109-A289 HydrophobicContact CG-CB 3.91Å; F109-A289 HydrophobicContact CZ-CB 4Å; K285-A289 PolarHBondContact O-N 2.91Å; H287-A289 PolarHBondContact O-N 3.31Å; A289-W292 PolarHBondContact O-N 3.19Å; A289-A293 VanDerWaalsContact O-CB 3.32Å; A289-A293 WeakPolarHBondContact O-CB 3.42Å; A289-A293 PolarHBondContact O-N 3.01Å
290	V	98.6	Very high	98.7	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-44.5	173.7	172.4	0	0	0	0	111.3	F129 F188 L264 T286 H287 W292 A293 S294	F129-V290 HydrophobicContact CE1-CG2 4.24Å; F188-V290 HydrophobicContact CZ-CG1 4.28Å; L264-V290 HydrophobicContact CD2-CG1 3.82Å; T286-V290 PolarHBondContact O-N 3.35Å; H287-V290 WeakPolarHBondContact O-CB 3.5Å; H287-V290 PolarHBondContact O-N 2.85Å; H287-V290 VanDerWaalsContact O-N 3.09Å; V290-W292 VanDerWaalsContact C-N 3.31Å; V290-W292 PolarHBondContact O-N 2.75Å; V290-A293 PolarHBondContact O-N 3.14Å; V290-S294 PolarHBondContact O-N 2.96Å; V290-S294 PolarHBondContact O-OG 2.89Å
291	L	98.8	Very high	98.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-57.1	-45.6	175.8	175.5	63.8	0	0	0	111.1	F180 F184 F188 F217 L246 L250 H287 V288 S294 Q295	F180-L291 HydrophobicContact CE2-CD1 4Å; F180-L291 HydrophobicContact CE2-CD2 4.49Å; F180-L291 HydrophobicContact CE2-CG 4.48Å; F180-L291 HydrophobicContact CZ-CD1 4.24Å; F180-L291 HydrophobicContact CZ-CD2 4.38Å; F184-L291 HydrophobicContact CD2-CD1 3.86Å; F188-L291 HydrophobicContact CD2-CD1 4.43Å; F188-L291 HydrophobicContact CE2-CB 3.87Å; F188-L291 HydrophobicContact CE2-CD1 3.78Å; F188-L291 HydrophobicContact CE2-CG 4.39Å; F188-L291 HydrophobicContact CZ-CB 3.88Å; F217-L291 HydrophobicContact CD2-CD2 4.48Å; F217-L291 HydrophobicContact CD2-CG 4.42Å; L246-L291 HydrophobicContact CD2-CD2 4.11Å; L250-L291 HydrophobicContact CD1-CB 4.39Å; L250-L291 HydrophobicContact CD1-CD2 4.26Å; H287-L291 PolarHBondContact O-N 3.1Å; V288-L291 PolarHBondContact O-N 3.16Å; L291-S294 PolarHBondContact O-N 2.84Å; L291-S294 PolarHBondContact O-OG 2.75Å; L291-S294 VanDerWaalsContact O-OG 3.12Å; L291-Q295 HydrophobicContact CD1-CG 3.83Å; L291-Q295 VanDerWaalsContact O-CB 3.32Å; L291-Q295 WeakPolarHBondContact O-CB 3.35Å; L291-Q295 VanDerWaalsContact O-CG 3.24Å; L291-Q295 WeakPolarHBondContact O-CG 3.27Å; L291-Q295 PolarHBondContact O-N 3.41Å; L291-Q295 VanDerWaalsContact O-N 3.11Å
292	W	98.8	Very high	98.7	Very high	28 Å²	28	15.2 Å²	15.2	11%	0.106	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-44.2	176.8	-173	91.9	0	0	0	112.3	F109 F217 D221 F224 V288 A289 V290 S294 Q295 A296	F109-W292 HydrophobicContact CE1-CB 3.73Å; F109-W292 HydrophobicContact CE1-CG 4.11Å; F109-W292 HydrophobicContact CZ-CB 3.8Å; F109-W292 HydrophobicContact CZ-CD2 4.2Å; F109-W292 HydrophobicContact CZ-CE3 4.3Å; F109-W292 AromaticContact CZ-CG 3.98Å; F109-W292 HydrophobicContact CZ-CG 3.98Å; F217-W292 HydrophobicContact CE2-CB 4.2Å; F217-W292 AromaticContact CE2-CD1 3.75Å; F217-W292 HydrophobicContact CE2-CG 4.29Å; D221-W292 PolarHBondContact OD1-NE1 2.99Å; F224-W292 HydrophobicContact CD1-CH2 4.24Å; F224-W292 AromaticContact CD1-CZ2 3.61Å; F224-W292 HydrophobicContact CD1-CZ2 3.61Å; F224-W292 AromaticContact CD2-CD1 3.75Å; F224-W292 HydrophobicContact CD2-CD2 4.14Å; F224-W292 AromaticContact CD2-CE2 3.47Å; F224-W292 VanDerWaalsContact CD2-CE2 3.47Å; F224-W292 HydrophobicContact CD2-CG 4.3Å; F224-W292 AromaticContact CD2-CZ2 3.91Å; F224-W292 HydrophobicContact CD2-CZ2 3.91Å; F224-W292 AromaticContact CD2-NE1 3.2Å; F224-W292 AromaticContact CE1-CE2 3.88Å; F224-W292 AromaticContact CE1-CH2 3.62Å; F224-W292 HydrophobicContact CE1-CH2 3.62Å; F224-W292 AromaticContact CE1-CZ2 3.4Å; F224-W292 HydrophobicContact CE1-CZ2 3.4Å; F224-W292 HydrophobicContact CE1-CZ3 4.26Å; F224-W292 AromaticContact CE2-CD1 3.71Å; F224-W292 AromaticContact CE2-CD2 3.47Å; F224-W292 HydrophobicContact CE2-CD2 3.47Å; F224-W292 VanDerWaalsContact CE2-CD2 3.47Å; F224-W292 AromaticContact CE2-CE2 3.22Å; F224-W292 HydrophobicContact CE2-CE3 4.1Å; F224-W292 AromaticContact CE2-CG 3.8Å; F224-W292 HydrophobicContact CE2-CG 3.8Å; F224-W292 HydrophobicContact CE2-CH2 4.31Å; F224-W292 AromaticContact CE2-CZ2 3.7Å; F224-W292 HydrophobicContact CE2-CZ2 3.7Å; F224-W292 HydrophobicContact CE2-CZ3 4.48Å; F224-W292 AromaticContact CE2-NE1 3.37Å; F224-W292 AromaticContact CG-CE2 3.88Å; F224-W292 AromaticContact CG-CZ2 3.86Å; F224-W292 HydrophobicContact CG-CZ2 3.86Å; F224-W292 AromaticContact CG-NE1 3.76Å; F224-W292 AromaticContact CZ-CD2 3.7Å; F224-W292 HydrophobicContact CZ-CD2 3.7Å; F224-W292 AromaticContact CZ-CE2 3.45Å; F224-W292 VanDerWaalsContact CZ-CE2 3.45Å; F224-W292 AromaticContact CZ-CE3 3.88Å; F224-W292 HydrophobicContact CZ-CE3 3.88Å; F224-W292 HydrophobicContact CZ-CG 4.47Å; F224-W292 AromaticContact CZ-CH2 3.65Å; F224-W292 HydrophobicContact CZ-CH2 3.65Å; F224-W292 AromaticContact CZ-CZ2 3.44Å; F224-W292 HydrophobicContact CZ-CZ2 3.44Å; F224-W292 VanDerWaalsContact CZ-CZ2 3.44Å; F224-W292 AromaticContact CZ-CZ3 3.86Å; F224-W292 HydrophobicContact CZ-CZ3 3.86Å; V288-W292 PolarHBondContact O-N 3.21Å; A289-W292 PolarHBondContact O-N 3.19Å; V290-W292 VanDerWaalsContact C-N 3.31Å; V290-W292 PolarHBondContact O-N 2.75Å; W292-S294 VanDerWaalsContact C-N 3.27Å; W292-S294 PolarHBondContact O-N 3.47Å; W292-Q295 PolarHBondContact O-N 3.23Å; W292-A296 HydrophobicContact CD2-CB 3.73Å; W292-A296 HydrophobicContact CE3-CB 4.24Å; W292-A296 HydrophobicContact CG-CB 4.17Å; W292-A296 HydrophobicContact CH2-CB 4.1Å; W292-A296 HydrophobicContact CZ2-CB 3.57Å; W292-A296 HydrophobicContact CZ3-CB 4.4Å; W292-A296 WeakPolarHBondContact O-CB 3.5Å; W292-A296 PolarHBondContact O-N 3.41Å
293	A	98.5	Very high	98.7	Very high	63 Å²	63	13.2 Å²	13.2	52%	0.521	8%	0.081	S	C	.	.	H	α-helix	trans	-61.4	-34.5	179.4	0	0	0	0	0	113.1	A289 V290	A289-A293 VanDerWaalsContact O-CB 3.32Å; A289-A293 WeakPolarHBondContact O-CB 3.42Å; A289-A293 PolarHBondContact O-N 3.01Å; V290-A293 PolarHBondContact O-N 3.14Å
294	S	98.5	Very high	98.8	Very high	23 Å²	23	12 Å²	12	16%	0.161	8%	0.075	C	C	.	.	H	α-helix	trans	-82.7	-25.8	178.5	62.2	0	0	0	0	114	L187 V290 L291 W292 T298	L187-S294 VanDerWaalsContact CD1-CB 3.42Å; L187-S294 WeakPolarHBondContact CD1-OG 3.36Å; V290-S294 PolarHBondContact O-N 2.96Å; V290-S294 PolarHBondContact O-OG 2.89Å; L291-S294 PolarHBondContact O-N 2.84Å; L291-S294 PolarHBondContact O-OG 2.75Å; L291-S294 VanDerWaalsContact O-OG 3.12Å; W292-S294 VanDerWaalsContact C-N 3.27Å; W292-S294 PolarHBondContact O-N 3.47Å; S294-T298 WeakPolarHBondContact O-CB 3.27Å; S294-T298 PolarHBondContact O-OG1 3.48Å; S294-T298 VanDerWaalsContact O-OG1 3.1Å
295	Q	98.5	Very high	98.8	Very high	1 Å²	1	12 Å²	12	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-103.4	-39.1	-172.1	-64.4	-61.8	-23.8	0	0	114.1	M179 F180 F217 L291 W292 N297 T298 I299	M179-Q295 PolarHBondContact O-OE1 2.94Å; F180-Q295 HydrophobicContact CD2-CB 4.26Å; F180-Q295 HydrophobicContact CD2-CG 3.85Å; F180-Q295 HydrophobicContact CE2-CG 4.19Å; F217-Q295 HydrophobicContact CE1-CB 4Å; F217-Q295 HydrophobicContact CE2-CB 4.18Å; F217-Q295 HydrophobicContact CZ-CB 3.65Å; L291-Q295 HydrophobicContact CD1-CG 3.83Å; L291-Q295 VanDerWaalsContact O-CB 3.32Å; L291-Q295 WeakPolarHBondContact O-CB 3.35Å; L291-Q295 VanDerWaalsContact O-CG 3.24Å; L291-Q295 WeakPolarHBondContact O-CG 3.27Å; L291-Q295 PolarHBondContact O-N 3.41Å; L291-Q295 VanDerWaalsContact O-N 3.11Å; W292-Q295 PolarHBondContact O-N 3.23Å; Q295-N297 PolarHBondContact O-N 3.4Å; Q295-N297 VanDerWaalsContact O-N 3.09Å; Q295-T298 PolarHBondContact O-N 3.36Å; Q295-I299 HydrophobicContact CB-CD1 4.14Å; Q295-I299 WeakPolarHBondContact O-CG1 3.43Å; Q295-I299 PolarHBondContact O-N 3.28Å; Q295-I299 VanDerWaalsContact O-N 3.16Å
296	A	98.4	Very high	98.8	Very high	6 Å²	6	10.5 Å²	10.5	5%	0.05	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.7	-166.7	0	0	0	0	0	114.4	F217 W292 P300	F217-A296 HydrophobicContact CZ-CB 4.31Å; W292-A296 HydrophobicContact CD2-CB 3.73Å; W292-A296 HydrophobicContact CE3-CB 4.24Å; W292-A296 HydrophobicContact CG-CB 4.17Å; W292-A296 HydrophobicContact CH2-CB 4.1Å; W292-A296 HydrophobicContact CZ2-CB 3.57Å; W292-A296 HydrophobicContact CZ3-CB 4.4Å; W292-A296 WeakPolarHBondContact O-CB 3.5Å; W292-A296 PolarHBondContact O-N 3.41Å; A296-P300 WeakPolarHBondContact O-CD 3.37Å; A296-P300 WeakPolarHBondContact O-CG 3.29Å
297	N	98.8	Very high	98.8	Very high	47 Å²	47	10.3 Å²	10.3	25%	0.251	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-35.6	178.2	-72.2	-64	0	0	0	113.2	Q295 P300 A301 G495 I496	Q295-N297 PolarHBondContact O-N 3.4Å; Q295-N297 VanDerWaalsContact O-N 3.09Å; N297-P300 WeakPolarHBondContact O-CD 3.36Å; N297-P300 WeakPolarHBondContact O-CG 3.22Å; N297-A301 WeakPolarHBondContact O-CB 3.2Å; N297-A301 PolarHBondContact O-N 3.23Å; N297-G495 VanDerWaalsContact OD1-CA 3.27Å; N297-G495 WeakPolarHBondContact OD1-CA 3.48Å; N297-I496 HydrophobicContact CB-CG1 4.28Å; N297-I496 PolarHBondContact OD1-N 2.83Å
298	T	98.9	Very high	98.8	Very high	10 Å²	10	11.6 Å²	11.6	6%	0.061	7%	0.073	C	C	.	.	H	α-helix	trans	-62	-47.2	179.6	-66.3	0	0	0	0	110.7	M179 S294 Q295 A301 T302 E461	M179-T298 HydrophobicContact CE-CG2 3.49Å; M179-T298 VanDerWaalsContact CE-CG2 3.49Å; S294-T298 WeakPolarHBondContact O-CB 3.27Å; S294-T298 PolarHBondContact O-OG1 3.48Å; S294-T298 VanDerWaalsContact O-OG1 3.1Å; Q295-T298 PolarHBondContact O-N 3.36Å; T298-A301 PolarHBondContact O-N 2.75Å; T298-T302 PolarHBondContact O-N 2.79Å; T298-T302 PolarHBondContact O-OG1 2.86Å; T298-E461 HydrophobicContact CG2-CG 3.92Å; T298-E461 WeakPolarHBondContact CG2-OE1 3.36Å; T298-E461 PolarHBondContact OG1-OE1 2.85Å
299	I	98.9	Very high	98.8	Very high	5 Å²	5	11.5 Å²	11.5	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-54.6	-56.6	-179.2	-69	167.3	0	0	0	112.6	Y172 C176 M179 F180 F217 Q295 A301 T302 F303	Y172-I299 HydrophobicContact CE2-CG2 3.95Å; C176-I299 HydrophobicContact CB-CG2 4.26Å; C176-I299 VanDerWaalsContact SG-CG2 3.52Å; M179-I299 HydrophobicContact CB-CG1 4.1Å; F180-I299 HydrophobicContact CB-CD1 4.27Å; F180-I299 HydrophobicContact CD2-CD1 4.46Å; F217-I299 HydrophobicContact CE1-CD1 4.21Å; Q295-I299 HydrophobicContact CB-CD1 4.14Å; Q295-I299 WeakPolarHBondContact O-CG1 3.43Å; Q295-I299 PolarHBondContact O-N 3.28Å; Q295-I299 VanDerWaalsContact O-N 3.16Å; I299-A301 VanDerWaalsContact C-N 3.34Å; I299-A301 PolarHBondContact O-N 3.36Å; I299-T302 PolarHBondContact O-N 3.4Å; I299-F303 PolarHBondContact O-N 3.46Å
300	P	98.9	Very high	98.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-68.5	-30.3	178.1	26.9	-35.5	0	0	0	113.1	Y172 A296 N297 F303 W304 I496 Q498	Y172-P300 HydrophobicContact CE2-CB 4.17Å; A296-P300 WeakPolarHBondContact O-CD 3.37Å; A296-P300 WeakPolarHBondContact O-CG 3.29Å; N297-P300 WeakPolarHBondContact O-CD 3.36Å; N297-P300 WeakPolarHBondContact O-CG 3.22Å; P300-F303 PolarHBondContact O-N 3.02Å; P300-W304 PolarHBondContact O-N 2.68Å; P300-I496 HydrophobicContact CB-CB 4.47Å; P300-I496 HydrophobicContact CB-CG2 3.93Å; P300-I496 HydrophobicContact CG-CB 4.02Å; P300-I496 HydrophobicContact CG-CG2 4.01Å; P300-Q498 HydrophobicContact CB-CG 4.26Å; P300-Q498 HydrophobicContact CG-CG 4.45Å
301	A	98.9	Very high	98.6	Very high	2 Å²	2	15 Å²	15	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-42.7	174	0	0	0	0	0	112	N297 T298 I299 W304 S305 M362 I462 I496	N297-A301 WeakPolarHBondContact O-CB 3.2Å; N297-A301 PolarHBondContact O-N 3.23Å; T298-A301 PolarHBondContact O-N 2.75Å; I299-A301 VanDerWaalsContact C-N 3.34Å; I299-A301 PolarHBondContact O-N 3.36Å; A301-W304 PolarHBondContact O-N 2.92Å; A301-S305 WeakPolarHBondContact O-CB 3.3Å; A301-S305 PolarHBondContact O-N 3.12Å; A301-S305 PolarHBondContact O-OG 2.94Å; A301-M362 HydrophobicContact CB-CE 4.42Å; A301-M362 HydrophobicContact CB-CG 4.33Å; A301-I462 HydrophobicContact CB-CD1 3.73Å; A301-I496 HydrophobicContact CB-CG1 4.38Å; A301-I496 HydrophobicContact CB-CG2 4.44Å
302	T	98.9	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-45.7	173.5	-56.7	0	0	0	0	111	M179 T298 I299 S305 L306 F465	M179-T302 HydrophobicContact CG-CG2 3.81Å; M179-T302 HydrophobicContact SD-CG2 3.93Å; T298-T302 PolarHBondContact O-N 2.79Å; T298-T302 PolarHBondContact O-OG1 2.86Å; I299-T302 PolarHBondContact O-N 3.4Å; T302-S305 PolarHBondContact O-N 3.36Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 PolarHBondContact O-N 3.36Å; T302-F465 HydrophobicContact CG2-CD1 3.28Å; T302-F465 HydrophobicContact CG2-CD2 4.17Å; T302-F465 HydrophobicContact CG2-CE1 3.28Å; T302-F465 HydrophobicContact CG2-CE2 4.17Å; T302-F465 HydrophobicContact CG2-CG 3.74Å; T302-F465 HydrophobicContact CG2-CZ 3.74Å
303	F	98.9	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.5	-52.6	176.3	164.9	-96.2	0	0	0	112	L171 Y172 C175 I299 P300 S305 L306 F307 P485 P499	L171-F303 HydrophobicContact CB-CD2 4.31Å; L171-F303 HydrophobicContact CB-CE2 4.06Å; L171-F303 HydrophobicContact CD2-CD2 4.12Å; L171-F303 HydrophobicContact CD2-CE2 3.87Å; L171-F303 HydrophobicContact CG-CD2 3.87Å; L171-F303 HydrophobicContact CG-CE2 3.92Å; Y172-F303 HydrophobicContact CD2-CB 3.7Å; Y172-F303 HydrophobicContact CD2-CD1 4.19Å; Y172-F303 AromaticContact CD2-CD2 3.89Å; Y172-F303 HydrophobicContact CD2-CD2 3.89Å; Y172-F303 AromaticContact CD2-CG 3.64Å; Y172-F303 HydrophobicContact CD2-CG 3.64Å; Y172-F303 HydrophobicContact CE2-CB 4.3Å; Y172-F303 HydrophobicContact CG-CD2 4.31Å; Y172-F303 HydrophobicContact CG-CG 4.48Å; C175-F303 HydrophobicContact CB-CB 4.28Å; I299-F303 PolarHBondContact O-N 3.46Å; P300-F303 PolarHBondContact O-N 3.02Å; F303-S305 VanDerWaalsContact C-N 3.32Å; F303-S305 PolarHBondContact O-N 3.5Å; F303-L306 PolarHBondContact O-N 3.17Å; F303-F307 HydrophobicContact CE2-CB 4.48Å; F303-F307 HydrophobicContact CZ-CB 4.3Å; F303-F307 HydrophobicContact CZ-CG 4.42Å; F303-F307 VanDerWaalsContact O-CB 3.24Å; F303-F307 WeakPolarHBondContact O-CB 3.29Å; F303-F307 PolarHBondContact O-N 3.39Å; F303-P485 HydrophobicContact CE1-CG 4.39Å; F303-P485 HydrophobicContact CZ-CG 4.04Å; F303-P499 HydrophobicContact CD1-CB 4.4Å; F303-P499 HydrophobicContact CD1-CG 3.91Å; F303-P499 HydrophobicContact CE1-CB 3.59Å; F303-P499 HydrophobicContact CE1-CG 3.51Å; F303-P499 HydrophobicContact CE2-CG 4.27Å; F303-P499 HydrophobicContact CG-CG 4.47Å; F303-P499 HydrophobicContact CZ-CB 3.81Å; F303-P499 HydrophobicContact CZ-CG 3.7Å
304	W	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-39.8	-178.3	-73.2	117.5	0	0	0	111.9	P300 A301 F307 Y308 A361 P485 L487 L497 P499	P300-W304 PolarHBondContact O-N 2.68Å; A301-W304 PolarHBondContact O-N 2.92Å; W304-F307 HydrophobicContact CE3-CD1 4.18Å; W304-F307 HydrophobicContact CZ3-CD1 4.15Å; W304-F307 PolarHBondContact O-N 2.7Å; W304-Y308 HydrophobicContact CB-CD2 4.4Å; W304-Y308 HydrophobicContact CB-CE2 4.34Å; W304-Y308 HydrophobicContact CD2-CE2 4.38Å; W304-Y308 HydrophobicContact CE3-CD2 4.37Å; W304-Y308 AromaticContact CE3-CE2 3.67Å; W304-Y308 HydrophobicContact CE3-CE2 3.67Å; W304-Y308 HydrophobicContact CZ3-CE2 4.4Å; W304-Y308 WeakPolarHBondContact O-CB 3.17Å; W304-Y308 WeakPolarHBondContact O-CD2 3.09Å; W304-Y308 PolarHBondContact O-N 2.83Å; W304-A361 HydrophobicContact CB-CB 4.09Å; W304-P485 HydrophobicContact CH2-CG 3.81Å; W304-P485 WeakPolarHBondContact CH2-O 3.4Å; W304-P485 HydrophobicContact CZ3-CG 4.07Å; W304-L487 HydrophobicContact CH2-CD2 3.85Å; W304-L487 HydrophobicContact CZ2-CD2 3.36Å; W304-L497 PolarHBondContact NE1-O 2.8Å; W304-P499 HydrophobicContact CH2-CB 4.21Å; W304-P499 HydrophobicContact CZ2-CB 3.97Å
305	S	98.9	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-46.6	177.7	-54.8	0	0	0	0	111.1	A301 T302 F303 L309	A301-S305 WeakPolarHBondContact O-CB 3.3Å; A301-S305 PolarHBondContact O-N 3.12Å; A301-S305 PolarHBondContact O-OG 2.94Å; T302-S305 PolarHBondContact O-N 3.36Å; F303-S305 VanDerWaalsContact C-N 3.32Å; F303-S305 PolarHBondContact O-N 3.5Å; S305-L309 WeakPolarHBondContact O-CB 3.18Å; S305-L309 PolarHBondContact O-N 2.88Å; S305-L309 VanDerWaalsContact O-N 3.09Å
306	L	98.9	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.6	-41.5	178.6	-177.4	56.9	0	0	0	112.4	L171 T302 F303 L309 I310 F465 L466 I469 I475	L171-L306 HydrophobicContact CD1-CD2 3.49Å; L171-L306 VanDerWaalsContact CD1-CD2 3.49Å; L171-L306 HydrophobicContact CD1-CG 3.94Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 PolarHBondContact O-N 3.36Å; F303-L306 PolarHBondContact O-N 3.17Å; L306-L309 HydrophobicContact CD1-CD2 4.35Å; L306-L309 WeakPolarHBondContact O-CB 3.5Å; L306-L309 PolarHBondContact O-N 3.3Å; L306-I310 HydrophobicContact CD1-CD1 3.86Å; L306-I310 HydrophobicContact CD1-CG1 3.99Å; L306-I310 HydrophobicContact CG-CD1 3.83Å; L306-I310 HydrophobicContact CG-CG1 4.39Å; L306-I310 VanDerWaalsContact O-CG1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.3Å; L306-I310 PolarHBondContact O-N 3.1Å; L306-F465 HydrophobicContact CB-CE1 4.27Å; L306-F465 HydrophobicContact CD2-CE1 3.71Å; L306-F465 HydrophobicContact CD2-CZ 3.8Å; L306-F465 HydrophobicContact CG-CE1 4.45Å; L306-L466 HydrophobicContact CB-CD2 4.13Å; L306-L466 HydrophobicContact CD1-CD2 4.13Å; L306-I469 HydrophobicContact CD1-CG2 3.95Å; L306-I475 HydrophobicContact CD1-CD1 3.91Å
307	F	98.8	Very high	98.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-51.2	178.4	174.6	-99.3	0	0	0	111.5	L171 F303 W304 L309 I310 K311 L477 V482 C484 V503	L171-F307 HydrophobicContact CD2-CB 3.79Å; L171-F307 HydrophobicContact CD2-CD2 4.01Å; L171-F307 HydrophobicContact CD2-CG 4.42Å; F303-F307 HydrophobicContact CE2-CB 4.48Å; F303-F307 HydrophobicContact CZ-CB 4.3Å; F303-F307 HydrophobicContact CZ-CG 4.42Å; F303-F307 VanDerWaalsContact O-CB 3.24Å; F303-F307 WeakPolarHBondContact O-CB 3.29Å; F303-F307 PolarHBondContact O-N 3.39Å; W304-F307 HydrophobicContact CE3-CD1 4.18Å; W304-F307 HydrophobicContact CZ3-CD1 4.15Å; W304-F307 PolarHBondContact O-N 2.7Å; F307-L309 VanDerWaalsContact C-N 3.33Å; F307-L309 PolarHBondContact O-N 3.26Å; F307-I310 PolarHBondContact O-N 3.19Å; F307-K311 WeakPolarHBondContact O-CB 3.48Å; F307-K311 PolarHBondContact O-N 3.48Å; F307-L477 HydrophobicContact CD2-CD2 4.46Å; F307-L477 HydrophobicContact CE2-CD2 4.49Å; F307-V482 HydrophobicContact CE2-CG1 4.44Å; F307-C484 HydrophobicContact CE1-CB 4.09Å; F307-C484 HydrophobicContact CZ-CB 4.35Å; F307-V503 HydrophobicContact CE2-CG1 4.25Å; F307-V503 HydrophobicContact CE2-CG2 4.16Å
308	Y	98.6	Very high	98.5	Very high	27 Å²	27	24.6 Å²	24.6	11%	0.106	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-34.8	179.2	-73.2	-57.7	0	0	0	112.5	W304 K311 S312 A361 L364 F415 C484	W304-Y308 HydrophobicContact CB-CD2 4.4Å; W304-Y308 HydrophobicContact CB-CE2 4.34Å; W304-Y308 HydrophobicContact CD2-CE2 4.38Å; W304-Y308 HydrophobicContact CE3-CD2 4.37Å; W304-Y308 AromaticContact CE3-CE2 3.67Å; W304-Y308 HydrophobicContact CE3-CE2 3.67Å; W304-Y308 HydrophobicContact CZ3-CE2 4.4Å; W304-Y308 WeakPolarHBondContact O-CB 3.17Å; W304-Y308 WeakPolarHBondContact O-CD2 3.09Å; W304-Y308 PolarHBondContact O-N 2.83Å; Y308-K311 PolarHBondContact O-N 3.45Å; Y308-S312 WeakPolarHBondContact O-CB 3.42Å; Y308-S312 PolarHBondContact O-N 3.48Å; Y308-A361 HydrophobicContact CD2-CB 4.03Å; Y308-L364 HydrophobicContact CE1-CD1 4.33Å; Y308-L364 HydrophobicContact CE2-CB 4.25Å; Y308-L364 HydrophobicContact CE2-CD1 4.05Å; Y308-F415 VanDerWaalsContact CB-CE2 3.46Å; Y308-F415 HydrophobicContact CD1-CB 3.64Å; Y308-F415 HydrophobicContact CD1-CD1 4.35Å; Y308-F415 AromaticContact CD1-CD2 3.85Å; Y308-F415 HydrophobicContact CD1-CD2 3.85Å; Y308-F415 AromaticContact CD1-CG 3.69Å; Y308-F415 HydrophobicContact CD1-CG 3.69Å; Y308-F415 AromaticContact CD2-CD2 3.71Å; Y308-F415 HydrophobicContact CD2-CD2 3.71Å; Y308-F415 HydrophobicContact CD2-CE2 4.12Å; Y308-F415 HydrophobicContact CD2-CG 4.4Å; Y308-F415 HydrophobicContact CE1-CB 3.89Å; Y308-F415 HydrophobicContact CE1-CG 4.38Å; Y308-F415 HydrophobicContact CE2-CD2 4.4Å; Y308-F415 HydrophobicContact CG-CB 4.15Å; Y308-F415 HydrophobicContact CG-CD1 4.36Å; Y308-F415 AromaticContact CG-CD2 3.42Å; Y308-F415 HydrophobicContact CG-CD2 3.42Å; Y308-F415 VanDerWaalsContact CG-CD2 3.42Å; Y308-F415 AromaticContact CG-CE2 3.88Å; Y308-F415 HydrophobicContact CG-CE2 3.88Å; Y308-F415 AromaticContact CG-CG 3.72Å; Y308-F415 HydrophobicContact CG-CG 3.72Å; Y308-C484 PolarHBondContact OH-SG 3.42Å
309	L	98.6	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-49.2	173.1	178.3	64.2	0	0	0	111.6	S305 L306 F307 K311 S312 A315 M316 A319 I357 L466 L470	S305-L309 WeakPolarHBondContact O-CB 3.18Å; S305-L309 PolarHBondContact O-N 2.88Å; S305-L309 VanDerWaalsContact O-N 3.09Å; L306-L309 HydrophobicContact CD1-CD2 4.35Å; L306-L309 WeakPolarHBondContact O-CB 3.5Å; L306-L309 PolarHBondContact O-N 3.3Å; F307-L309 VanDerWaalsContact C-N 3.33Å; F307-L309 PolarHBondContact O-N 3.26Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 2.87Å; L309-S312 PolarHBondContact O-N 3.35Å; L309-S312 VanDerWaalsContact O-O 3.12Å; L309-A315 HydrophobicContact CD1-CB 4.17Å; L309-M316 HydrophobicContact CD1-CB 4.48Å; L309-M316 HydrophobicContact CD1-SD 4.37Å; L309-M316 HydrophobicContact CG-CE 4.15Å; L309-M316 HydrophobicContact CG-SD 4.18Å; L309-A319 HydrophobicContact CD1-CB 3.78Å; L309-I357 HydrophobicContact CD1-CD1 4.12Å; L309-L466 HydrophobicContact CD2-CD2 4.04Å; L309-L470 HydrophobicContact CD2-CD1 4.34Å; L309-L470 HydrophobicContact CD2-CD2 4.26Å; L309-L470 HydrophobicContact CD2-CG 4.44Å
310	I	98.2	Very high	98.5	Very high	23 Å²	23	26 Å²	26	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-66.8	-37.7	179.1	-57.8	164	0	0	0	111.2	L171 L306 F307 S312 M316 I475 L477 F505	L171-I310 HydrophobicContact CD1-CD1 4.35Å; L171-I310 HydrophobicContact CD2-CD1 4.48Å; L306-I310 HydrophobicContact CD1-CD1 3.86Å; L306-I310 HydrophobicContact CD1-CG1 3.99Å; L306-I310 HydrophobicContact CG-CD1 3.83Å; L306-I310 HydrophobicContact CG-CG1 4.39Å; L306-I310 VanDerWaalsContact O-CG1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.3Å; L306-I310 PolarHBondContact O-N 3.1Å; F307-I310 PolarHBondContact O-N 3.19Å; I310-S312 VanDerWaalsContact C-N 3.27Å; I310-S312 PolarHBondContact O-N 2.87Å; I310-M316 HydrophobicContact CB-CE 4.34Å; I310-M316 HydrophobicContact CG1-CE 4.07Å; I310-I475 HydrophobicContact CD1-CD1 3.94Å; I310-I475 HydrophobicContact CD1-CG1 4.37Å; I310-I475 HydrophobicContact CG1-CD1 3.59Å; I310-I475 HydrophobicContact CG1-CG1 4.04Å; I310-L477 HydrophobicContact CB-CG 4.44Å; I310-L477 HydrophobicContact CG2-CD1 4.31Å; I310-L477 HydrophobicContact CG2-CD2 4.39Å; I310-L477 HydrophobicContact CG2-CG 3.73Å; I310-F505 HydrophobicContact CD1-CD2 4.29Å
311	K	96.7	Very high	98.5	Very high	76 Å²	76	31.8 Å²	31.8	33%	0.33	16%	0.156	S	C	.	.	H	α-helix	trans	-72	-19.4	-178.1	-165	68.5	-174.6	-179.6	0	113.3	F307 Y308 L309 L477 S480 V482	F307-K311 WeakPolarHBondContact O-CB 3.48Å; F307-K311 PolarHBondContact O-N 3.48Å; Y308-K311 PolarHBondContact O-N 3.45Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 2.87Å; K311-L477 HydrophobicContact CB-CD1 4.47Å; K311-L477 HydrophobicContact CD-CD1 3.74Å; K311-S480 PolarHBondContact NZ-O 2.99Å; K311-V482 WeakPolarHBondContact CE-O 3.4Å; K311-V482 PolarHBondContact NZ-O 2.89Å
312	S	97.4	Very high	98.4	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	16%	0.16	C	C	.	.			trans	-113.4	102.7	-177.2	-178.9	0	0	0	0	111.5	Y308 L309 I310 E314 A315 M316	Y308-S312 WeakPolarHBondContact O-CB 3.42Å; Y308-S312 PolarHBondContact O-N 3.48Å; L309-S312 PolarHBondContact O-N 3.35Å; L309-S312 VanDerWaalsContact O-O 3.12Å; I310-S312 VanDerWaalsContact C-N 3.27Å; I310-S312 PolarHBondContact O-N 2.87Å; S312-E314 PolarHBondContact O-N 2.89Å; S312-A315 PolarHBondContact O-N 2.86Å; S312-A315 VanDerWaalsContact O-N 3.15Å; S312-A315 PolarHBondContact OG-N 2.84Å; S312-M316 PolarHBondContact O-N 3.39Å
313	P	97.1	Very high	98.4	Very high	72 Å²	72	33 Å²	33	47%	0.468	16%	0.162	S	C	.	.	H	α-helix	trans	-56.7	-35.6	177	-26.4	35.7	0	0	0	113.4	M316 R317	P313-M316 PolarHBondContact O-N 3.05Å; P313-R317 WeakPolarHBondContact O-CG 3.42Å; P313-R317 PolarHBondContact O-N 2.76Å
314	E	98.2	Very high	98.4	Very high	91 Å²	91	37.9 Å²	37.9	43%	0.425	19%	0.185	S	C	.	.	H	α-helix	trans	-63	-49.5	175.9	-66.2	59.4	-128.3	0	0	111.2	S312 M316 R317 A318 Y417	S312-E314 PolarHBondContact O-N 2.89Å; E314-M316 VanDerWaalsContact C-N 3.34Å; E314-M316 PolarHBondContact O-N 2.85Å; E314-R317 PolarHBondContact O-N 3.05Å; E314-R317 IonicContact OE1-CZ 3.43Å; E314-R317 IonicContact OE1-NH1 3.74Å; E314-R317 IonicContact OE1-NH2 3.27Å; E314-R317 PolarHBondContact OE1-NH2 3.33Å; E314-A318 PolarHBondContact O-N 3.14Å; E314-Y417 HydrophobicContact CB-CD1 4.26Å; E314-Y417 HydrophobicContact CB-CE1 3.86Å
315	A	98.6	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-42.3	177.3	0	0	0	0	0	111.4	L309 S312 R317 A318 A319 I357 F415 Y417	L309-A315 HydrophobicContact CD1-CB 4.17Å; S312-A315 PolarHBondContact O-N 2.86Å; S312-A315 VanDerWaalsContact O-N 3.15Å; S312-A315 PolarHBondContact OG-N 2.84Å; A315-R317 PolarHBondContact O-N 2.97Å; A315-A318 PolarHBondContact O-N 3.14Å; A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 3.33Å; A315-I357 HydrophobicContact CB-CD1 4.36Å; A315-F415 HydrophobicContact CB-CE1 4.21Å; A315-Y417 HydrophobicContact CB-CD1 4.26Å; A315-Y417 HydrophobicContact CB-CD2 4.45Å; A315-Y417 HydrophobicContact CB-CG 3.85Å
316	M	98.6	Very high	98.2	Very high	39 Å²	39	42.5 Å²	42.5	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-47.9	178	-175.5	65.6	78.4	0	0	111.6	L309 I310 S312 P313 E314 T320 L470 I475	L309-M316 HydrophobicContact CD1-CB 4.48Å; L309-M316 HydrophobicContact CD1-SD 4.37Å; L309-M316 HydrophobicContact CG-CE 4.15Å; L309-M316 HydrophobicContact CG-SD 4.18Å; I310-M316 HydrophobicContact CB-CE 4.34Å; I310-M316 HydrophobicContact CG1-CE 4.07Å; S312-M316 PolarHBondContact O-N 3.39Å; P313-M316 PolarHBondContact O-N 3.05Å; E314-M316 VanDerWaalsContact C-N 3.34Å; E314-M316 PolarHBondContact O-N 2.85Å; M316-T320 VanDerWaalsContact O-CB 3.32Å; M316-T320 WeakPolarHBondContact O-CB 3.22Å; M316-T320 PolarHBondContact O-N 3.23Å; M316-T320 PolarHBondContact O-OG1 3.13Å; M316-L470 HydrophobicContact SD-CD2 3.51Å; M316-L470 VanDerWaalsContact SD-CD2 3.51Å; M316-I475 HydrophobicContact CE-CD1 3.84Å; M316-I475 HydrophobicContact CE-CG1 3.99Å
317	R	98.6	Very high	98.2	Very high	133 Å²	133	42.8 Å²	42.8	50%	0.502	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-54.2	177.6	-73.1	-172.4	-56.8	-100.1	-1.7	111	P313 E314 A315 A319 T320 E321	P313-R317 WeakPolarHBondContact O-CG 3.42Å; P313-R317 PolarHBondContact O-N 2.76Å; E314-R317 PolarHBondContact O-N 3.05Å; E314-R317 IonicContact OE1-CZ 3.43Å; E314-R317 IonicContact OE1-NH1 3.74Å; E314-R317 IonicContact OE1-NH2 3.27Å; E314-R317 PolarHBondContact OE1-NH2 3.33Å; A315-R317 PolarHBondContact O-N 2.97Å; R317-A319 VanDerWaalsContact C-N 3.34Å; R317-A319 PolarHBondContact O-N 3.16Å; R317-T320 PolarHBondContact O-N 3.35Å; R317-T320 VanDerWaalsContact O-N 3.15Å; R317-E321 WeakPolarHBondContact O-CG 3.34Å; R317-E321 PolarHBondContact O-N 3.09Å
318	A	98.6	Very high	98	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-42.1	-177	0	0	0	0	0	112.6	E314 A315 E321 E322 I353 Y417	E314-A318 PolarHBondContact O-N 3.14Å; A315-A318 PolarHBondContact O-N 3.14Å; A318-E321 PolarHBondContact O-N 3.09Å; A318-E322 WeakPolarHBondContact O-CB 3.06Å; A318-E322 PolarHBondContact O-N 3.46Å; A318-I353 HydrophobicContact CB-CG2 3.89Å; A318-Y417 HydrophobicContact CB-CD2 4.43Å; A318-Y417 HydrophobicContact CB-CE2 3.7Å
319	A	98.8	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-37.5	177.4	0	0	0	0	0	112.5	L309 A315 R317 V323 I353 L354 I357 L470	L309-A319 HydrophobicContact CD1-CB 3.78Å; A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 3.33Å; R317-A319 VanDerWaalsContact C-N 3.34Å; R317-A319 PolarHBondContact O-N 3.16Å; A319-V323 WeakPolarHBondContact O-CB 3.37Å; A319-V323 VanDerWaalsContact O-CG2 3.3Å; A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.23Å; A319-I353 HydrophobicContact CB-CG2 4.48Å; A319-L354 HydrophobicContact CB-CD2 3.82Å; A319-I357 HydrophobicContact CB-CD1 3.86Å; A319-L470 HydrophobicContact CB-CD1 3.83Å
320	T	98.6	Very high	97.7	Very high	46 Å²	46	53 Å²	53	28%	0.282	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-45	176.7	-58	0	0	0	0	110.7	M316 R317 V323 Q324	M316-T320 VanDerWaalsContact O-CB 3.32Å; M316-T320 WeakPolarHBondContact O-CB 3.22Å; M316-T320 PolarHBondContact O-N 3.23Å; M316-T320 PolarHBondContact O-OG1 3.13Å; R317-T320 PolarHBondContact O-N 3.35Å; R317-T320 VanDerWaalsContact O-N 3.15Å; T320-V323 PolarHBondContact O-N 2.94Å; T320-Q324 WeakPolarHBondContact O-CB 3.35Å; T320-Q324 PolarHBondContact O-N 3.3Å
321	E	98.5	Very high	97.4	Very high	122 Å²	122	54.7 Å²	54.7	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-63.4	-43.9	177.9	-71.3	170.3	-167.8	0	0	112	R317 A318 T325	R317-E321 WeakPolarHBondContact O-CG 3.34Å; R317-E321 PolarHBondContact O-N 3.09Å; A318-E321 PolarHBondContact O-N 3.09Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.99Å; E321-T325 PolarHBondContact O-OG1 3.22Å
322	E	98.6	Very high	97.2	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-49.9	175.6	178.2	176.5	-101.2	0	0	111.5	A318 Q324 T325 I326 M351 P352 I353 L354	A318-E322 WeakPolarHBondContact O-CB 3.06Å; A318-E322 PolarHBondContact O-N 3.46Å; E322-Q324 PolarHBondContact O-N 3.28Å; E322-T325 PolarHBondContact O-N 2.91Å; E322-I326 WeakPolarHBondContact O-CG1 3.47Å; E322-I326 PolarHBondContact O-N 3.29Å; E322-M351 WeakPolarHBondContact OE1-CA 3.44Å; E322-M351 WeakPolarHBondContact OE2-CB 3.41Å; E322-P352 WeakPolarHBondContact OE1-CD 3.27Å; E322-P352 WeakPolarHBondContact OE1-CG 3.21Å; E322-I353 HydrophobicContact CB-CB 4.31Å; E322-I353 HydrophobicContact CB-CG1 4.24Å; E322-I353 VanDerWaalsContact CD-CB 3.49Å; E322-I353 WeakPolarHBondContact OE1-CB 3.46Å; E322-I353 WeakPolarHBondContact OE1-CG1 3.43Å; E322-I353 PolarHBondContact OE1-N 3.32Å; E322-I353 WeakPolarHBondContact OE2-CB 3.42Å; E322-I353 PolarHBondContact OE2-N 3.13Å; E322-L354 WeakPolarHBondContact OE2-CG 3.43Å; E322-L354 PolarHBondContact OE2-N 2.83Å
323	V	98.6	Very high	96.7	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-44.9	-179.7	165	0	0	0	0	111.2	A319 T320 T325 I326 L327 L354 T467 L470	A319-V323 WeakPolarHBondContact O-CB 3.37Å; A319-V323 VanDerWaalsContact O-CG2 3.3Å; A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.23Å; T320-V323 PolarHBondContact O-N 2.94Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.09Å; V323-I326 PolarHBondContact O-N 3.46Å; V323-L327 HydrophobicContact CG1-CD1 3.77Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.46Å; V323-L327 PolarHBondContact O-N 3.22Å; V323-L354 HydrophobicContact CG2-CD1 3.89Å; V323-T467 HydrophobicContact CG1-CG2 3.92Å; V323-L470 HydrophobicContact CG1-CB 4.47Å; V323-L470 HydrophobicContact CG2-CD1 3.84Å
324	Q	97.6	Very high	96.2	Very high	104 Å²	104	59.7 Å²	59.7	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-47.6	177.3	179.9	174.9	-6.5	0	0	111.2	T320 E322 I326 L327 E328	T320-Q324 WeakPolarHBondContact O-CB 3.35Å; T320-Q324 PolarHBondContact O-N 3.3Å; E322-Q324 PolarHBondContact O-N 3.28Å; Q324-I326 PolarHBondContact O-N 2.94Å; Q324-L327 PolarHBondContact O-N 2.87Å; Q324-E328 HydrophobicContact CG-CG 4.36Å; Q324-E328 VanDerWaalsContact CG-OE1 3.25Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.46Å; Q324-E328 PolarHBondContact NE2-OE1 2.96Å; Q324-E328 WeakPolarHBondContact O-CB 3.37Å; Q324-E328 WeakPolarHBondContact O-CG 3.46Å; Q324-E328 PolarHBondContact O-N 3.36Å
325	T	97.8	Very high	95.3	Very high	86 Å²	86	56 Å²	56	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-43.6	179.5	-58.1	0	0	0	0	112	E321 E322 V323 S329	E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.99Å; E321-T325 PolarHBondContact O-OG1 3.22Å; E322-T325 PolarHBondContact O-N 2.91Å; V323-T325 VanDerWaalsContact C-N 3.35Å; V323-T325 PolarHBondContact O-N 3.09Å; T325-S329 WeakPolarHBondContact O-CB 3.36Å; T325-S329 PolarHBondContact O-N 3.41Å; T325-S329 PolarHBondContact O-OG 3.38Å
326	I	97.9	Very high	94.2	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-42.1	178.2	-66.6	-67.9	0	0	0	111.6	E322 V323 Q324 S329 A330 L343 Q347 N350 M351	E322-I326 WeakPolarHBondContact O-CG1 3.47Å; E322-I326 PolarHBondContact O-N 3.29Å; V323-I326 PolarHBondContact O-N 3.46Å; Q324-I326 PolarHBondContact O-N 2.94Å; I326-S329 PolarHBondContact O-OG 2.96Å; I326-A330 WeakPolarHBondContact O-CB 3.45Å; I326-A330 PolarHBondContact O-N 3.17Å; I326-L343 HydrophobicContact CG2-CD1 4.39Å; I326-L343 HydrophobicContact CG2-CD2 4.06Å; I326-Q347 HydrophobicContact CG2-CB 4.22Å; I326-N350 WeakPolarHBondContact CD1-O 3.45Å; I326-M351 HydrophobicContact CB-CE 3.98Å; I326-M351 HydrophobicContact CG1-CE 4.17Å; I326-M351 HydrophobicContact CG1-CG 4.13Å; I326-M351 HydrophobicContact CG2-CE 3.55Å
327	L	96.9	Very high	93	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-43.1	178	-68.2	172	0	0	0	112.1	V323 Q324 A330 G331 E332 I334 I341 L343 S471	V323-L327 HydrophobicContact CG1-CD1 3.77Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.46Å; V323-L327 PolarHBondContact O-N 3.22Å; Q324-L327 PolarHBondContact O-N 2.87Å; L327-A330 PolarHBondContact O-N 2.91Å; L327-G331 PolarHBondContact O-N 3.19Å; L327-G331 VanDerWaalsContact O-N 3.12Å; L327-E332 HydrophobicContact CB-CB 4.28Å; L327-E332 HydrophobicContact CD2-CB 3.88Å; L327-E332 HydrophobicContact CD2-CG 4.26Å; L327-E332 PolarHBondContact O-N 2.98Å; L327-I334 HydrophobicContact CD1-CD1 3.86Å; L327-I334 HydrophobicContact CD1-CG1 4.17Å; L327-I341 HydrophobicContact CD1-CD1 4.47Å; L327-I341 HydrophobicContact CD2-CD1 4.17Å; L327-I341 HydrophobicContact CD2-CG2 3.67Å; L327-L343 HydrophobicContact CD2-CD1 4.35Å; L327-L343 HydrophobicContact CD2-CD2 4.22Å; L327-L343 HydrophobicContact CD2-CG 4.5Å; L327-S471 WeakPolarHBondContact CD1-OG 3.49Å
328	E	95.9	Very high	91.8	Very high	125 Å²	125	62.1 Å²	62.1	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-62.1	-47.1	177.1	-73.8	175.4	-174.2	0	0	111.6	Q324 A330 G331	Q324-E328 HydrophobicContact CG-CG 4.36Å; Q324-E328 VanDerWaalsContact CG-OE1 3.25Å; Q324-E328 WeakPolarHBondContact CG-OE1 3.46Å; Q324-E328 PolarHBondContact NE2-OE1 2.96Å; Q324-E328 WeakPolarHBondContact O-CB 3.37Å; Q324-E328 WeakPolarHBondContact O-CG 3.46Å; Q324-E328 PolarHBondContact O-N 3.36Å; E328-A330 VanDerWaalsContact C-N 3.25Å; E328-A330 PolarHBondContact O-N 3.3Å; E328-G331 PolarHBondContact O-N 2.98Å
329	S	95.4	Very high	91	Very high	89 Å²	89	69.8 Å²	69.8	62%	0.622	38%	0.379	S	S	*	.	H	α-helix	trans	-65.3	-28	176.6	65.4	0	0	0	0	113.5	T325 I326 G331	T325-S329 WeakPolarHBondContact O-CB 3.36Å; T325-S329 PolarHBondContact O-N 3.41Å; T325-S329 PolarHBondContact O-OG 3.38Å; I326-S329 PolarHBondContact O-OG 2.96Å; S329-G331 VanDerWaalsContact C-N 3.27Å
330	A	94.8	Very high	90.5	Very high	29 Å²	29	72.4 Å²	72.4	24%	0.24	39%	0.393	C	S	.	.	H	α-helix	trans	-77	-12.1	173.2	0	0	0	0	0	113.2	I326 L327 E328 E332 L343	I326-A330 WeakPolarHBondContact O-CB 3.45Å; I326-A330 PolarHBondContact O-N 3.17Å; L327-A330 PolarHBondContact O-N 2.91Å; E328-A330 VanDerWaalsContact C-N 3.25Å; E328-A330 PolarHBondContact O-N 3.3Å; A330-E332 HydrophobicContact CB-CB 4.47Å; A330-E332 HydrophobicContact CB-CG 3.77Å; A330-E332 PolarHBondContact O-N 3.31Å; A330-L343 HydrophobicContact CB-CD2 4.07Å
331	G	93.1	Very high	90.2	Very high	60 Å²	60	70.3 Å²	70.3	62%	0.619	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.4	-172.5	0	0	0	0	0	113.2	L327 E328 S329	L327-G331 PolarHBondContact O-N 3.19Å; L327-G331 VanDerWaalsContact O-N 3.12Å; E328-G331 PolarHBondContact O-N 2.98Å; S329-G331 VanDerWaalsContact C-N 3.27Å
332	E	92.4	Very high	90	Very high	47 Å²	47	67 Å²	67	22%	0.22	37%	0.37	C	S	.	.			trans	-76.4	135.7	179.9	-70.1	-62.9	157.6	0	0	110.3	L327 A330 I341 S342	L327-E332 HydrophobicContact CB-CB 4.28Å; L327-E332 HydrophobicContact CD2-CB 3.88Å; L327-E332 HydrophobicContact CD2-CG 4.26Å; L327-E332 PolarHBondContact O-N 2.98Å; A330-E332 HydrophobicContact CB-CB 4.47Å; A330-E332 HydrophobicContact CB-CG 3.77Å; A330-E332 PolarHBondContact O-N 3.31Å; E332-I341 HydrophobicContact CG-CG2 4.41Å; E332-I341 WeakPolarHBondContact OE2-CA 3.22Å; E332-S342 PolarHBondContact OE1-N 3.47Å; E332-S342 VanDerWaalsContact OE1-O 3.07Å
333	K	86.4	Confident	90	Very high	166 Å²	166	66 Å²	66	72%	0.722	37%	0.366	S	S	*	.			trans	-109.6	124	176.4	-68	-173.1	-179	-176.8	0	109.4	S338	K333-S338 PolarHBondContact O-OG 3.42Å
334	I	86.3	Confident	89.8	Confident	60 Å²	60	69.4 Å²	69.4	31%	0.308	38%	0.384	S	S	.	.			trans	-82.1	122.4	175.9	-47.4	173.3	0	0	0	108.1	L327 I341 Y472 L512	L327-I334 HydrophobicContact CD1-CD1 3.86Å; L327-I334 HydrophobicContact CD1-CG1 4.17Å; I334-I341 HydrophobicContact CG1-CD1 4.46Å; I334-Y472 HydrophobicContact CG2-CD1 4.12Å; I334-Y472 HydrophobicContact CG2-CE1 3.79Å; I334-L512 HydrophobicContact CB-CD2 4.38Å; I334-L512 HydrophobicContact CG2-CD1 3.81Å; I334-L512 HydrophobicContact CG2-CD2 3.63Å; I334-L512 HydrophobicContact CG2-CG 4.27Å
335	G	79.3	Confident	89.8	Confident	14 Å²	14	68 Å²	68	14%	0.144	37%	0.374	C	S	.	.			trans	-169.6	155.4	176.6	0	0	0	0	0	110.1	S338	G335-S338 VanDerWaalsContact CA-OG 3.29Å; G335-S338 WeakPolarHBondContact CA-OG 3.32Å; G335-S338 PolarHBondContact N-OG 3.38Å; G335-S338 PolarHBondContact O-OG 2.93Å
336	L	75.6	Confident	89.8	Confident	86 Å²	86	72.1 Å²	72.1	45%	0.45	39%	0.385	S	S	.	.	S	Bend	trans	-78	-28.2	175	-65.5	172.8	0	0	0	111.9	Y472 L509	L336-Y472 HydrophobicContact CD2-CD1 4.39Å; L336-L509 HydrophobicContact CD1-CD1 3.99Å; L336-L509 HydrophobicContact CD2-CD1 4.2Å; L336-L509 HydrophobicContact CD2-CD2 4.31Å
337	D	73.1	Confident	89.8	Confident	173 Å²	173	73.6 Å²	73.6	93%	0.925	39%	0.391	S	S	*	.	S	Bend	trans	-99.6	0.6	176.4	-61.4	-40.4	0	0	0	112.8
338	S	73.2	Confident	89.9	Confident	41 Å²	41	73.4 Å²	73.4	29%	0.287	39%	0.39	S	S	.	.	S	Bend	trans	-80.5	167.4	176.4	65.9	0	0	0	0	111.2	K333 G335	K333-S338 PolarHBondContact O-OG 3.42Å; G335-S338 VanDerWaalsContact CA-OG 3.29Å; G335-S338 WeakPolarHBondContact CA-OG 3.32Å; G335-S338 PolarHBondContact N-OG 3.38Å; G335-S338 PolarHBondContact O-OG 2.93Å
339	K	82.8	Confident	90	Very high	176 Å²	176	71 Å²	71	77%	0.765	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-58.5	144	168.5	-171.2	-174.4	174.3	-167.6	0	109	I341	K339-I341 PolarHBondContact O-N 2.94Å
340	N	87.9	Confident	90.1	Very high	54 Å²	54	71.7 Å²	71.7	29%	0.289	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-48.8	136.3	169.6	-75.1	0.4	0	0	0	110.8	Q150 S342	Q150-N340 VanDerWaalsContact OE1-CA 3.22Å; N340-S342 PolarHBondContact O-N 2.78Å
341	I	93.3	Very high	90.2	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-57.4	133	171.6	-67.5	174.7	0	0	0	108.6	M146 Q150 L327 E332 I334 K339 L343 L468 Y472	M146-I341 HydrophobicContact CE-CG2 4.29Å; M146-I341 VanDerWaalsContact CG-O 3.22Å; M146-I341 WeakPolarHBondContact CG-O 3.37Å; Q150-I341 PolarHBondContact NE2-O 3.42Å; L327-I341 HydrophobicContact CD1-CD1 4.47Å; L327-I341 HydrophobicContact CD2-CD1 4.17Å; L327-I341 HydrophobicContact CD2-CG2 3.67Å; E332-I341 HydrophobicContact CG-CG2 4.41Å; E332-I341 WeakPolarHBondContact OE2-CA 3.22Å; I334-I341 HydrophobicContact CG1-CD1 4.46Å; K339-I341 PolarHBondContact O-N 2.94Å; I341-L343 HydrophobicContact CG2-CG 4.17Å; I341-L468 HydrophobicContact CD1-CD2 4.31Å; I341-Y472 HydrophobicContact CD1-CE2 3.65Å; I341-Y472 HydrophobicContact CG1-CE2 4.48Å
342	S	94.1	Very high	90.5	Very high	53 Å²	53	68.9 Å²	68.9	37%	0.371	35%	0.347	S	S	.	.			trans	-127.3	120.2	172.2	-172.8	0	0	0	0	110.5	E332 N340	E332-S342 PolarHBondContact OE1-N 3.47Å; E332-S342 VanDerWaalsContact OE1-O 3.07Å; N340-S342 PolarHBondContact O-N 2.78Å
343	L	97.1	Very high	90.8	Very high	2 Å²	2	68 Å²	68	1%	0.01	34%	0.343	C	S	.	.			trans	-118.7	122.5	174.7	-65.9	179.9	0	0	0	109.1	M146 I326 L327 A330 I341 Q347 L348 M351 T467	M146-L343 HydrophobicContact CE-CB 4.19Å; M146-L343 HydrophobicContact CE-CD1 4.21Å; M146-L343 HydrophobicContact CE-CG 4.24Å; I326-L343 HydrophobicContact CG2-CD1 4.39Å; I326-L343 HydrophobicContact CG2-CD2 4.06Å; L327-L343 HydrophobicContact CD2-CD1 4.35Å; L327-L343 HydrophobicContact CD2-CD2 4.22Å; L327-L343 HydrophobicContact CD2-CG 4.5Å; A330-L343 HydrophobicContact CB-CD2 4.07Å; I341-L343 HydrophobicContact CG2-CG 4.17Å; L343-Q347 HydrophobicContact CD2-CB 4.3Å; L343-L348 HydrophobicContact CB-CD2 4.01Å; L343-L348 HydrophobicContact CB-CG 4.08Å; L343-L348 HydrophobicContact CD1-CD2 3.99Å; L343-M351 HydrophobicContact CD1-CE 3.64Å; L343-T467 HydrophobicContact CD1-CG2 4.05Å
344	N	96.3	Very high	91.4	Very high	75 Å²	75	60 Å²	60	40%	0.401	31%	0.309	S	S	.	.			trans	-75.8	167.7	174.9	70.9	52.7	0	0	0	111	K346 Q347 L348	N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.15Å; N344-K346 WeakPolarHBondContact OD1-CA 3.42Å; N344-K346 WeakPolarHBondContact OD1-CB 3.44Å; N344-K346 PolarHBondContact OD1-N 3.07Å; N344-Q347 VanDerWaalsContact CG-OE1 3.24Å; N344-Q347 PolarHBondContact ND2-OE1 3.18Å; N344-Q347 VanDerWaalsContact ND2-OE1 3.14Å; N344-Q347 PolarHBondContact O-N 2.78Å; N344-Q347 VanDerWaalsContact O-N 3.14Å; N344-Q347 PolarHBondContact OD1-N 3.04Å; N344-Q347 VanDerWaalsContact OD1-N 3.09Å; N344-L348 PolarHBondContact O-N 3.14Å; N344-L348 VanDerWaalsContact O-N 3.09Å
345	R	97.1	Very high	92	Very high	73 Å²	73	58.6 Å²	58.6	28%	0.275	30%	0.302	S	S	.	.	H	α-helix	trans	-53.3	-41.7	-179.4	179.8	175.7	169.4	-176.5	-1.2	114.1	D139 I142 Q347 L348 D349	D139-R345 WeakPolarHBondContact OD1-CB 3.31Å; D139-R345 VanDerWaalsContact OD1-CD 3.32Å; D139-R345 WeakPolarHBondContact OD1-CD 3.32Å; I142-R345 HydrophobicContact CD1-CB 3.82Å; I142-R345 HydrophobicContact CD1-CG 4.02Å; R345-Q347 VanDerWaalsContact C-N 3.33Å; R345-Q347 PolarHBondContact O-N 3.31Å; R345-L348 PolarHBondContact O-N 2.86Å; R345-D349 WeakPolarHBondContact CG-OD2 3.15Å; R345-D349 IonicContact NE-OD2 3.08Å; R345-D349 WeakPolarHBondContact O-CB 3.27Å; R345-D349 PolarHBondContact O-N 3.47Å
346	K	97.4	Very high	92.9	Very high	173 Å²	173	58 Å²	58	75%	0.752	30%	0.295	S	S	*	.	H	α-helix	trans	-65.9	-38	-178.6	-67.6	-178.9	178	177.9	0	111.9	N344 D349 N350	N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.15Å; N344-K346 WeakPolarHBondContact OD1-CA 3.42Å; N344-K346 WeakPolarHBondContact OD1-CB 3.44Å; N344-K346 PolarHBondContact OD1-N 3.07Å; K346-D349 PolarHBondContact O-N 3.4Å; K346-N350 WeakPolarHBondContact O-CB 3.39Å; K346-N350 PolarHBondContact O-N 3.32Å; K346-N350 VanDerWaalsContact O-N 3.1Å
347	Q	98.2	Very high	94.1	Very high	43 Å²	43	53.9 Å²	53.9	20%	0.201	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-43.3	176.9	-69.4	162.5	-43.5	0	0	110.9	I326 L343 N344 R345 N350	I326-Q347 HydrophobicContact CG2-CB 4.22Å; L343-Q347 HydrophobicContact CD2-CB 4.3Å; N344-Q347 VanDerWaalsContact CG-OE1 3.24Å; N344-Q347 PolarHBondContact ND2-OE1 3.18Å; N344-Q347 VanDerWaalsContact ND2-OE1 3.14Å; N344-Q347 PolarHBondContact O-N 2.78Å; N344-Q347 VanDerWaalsContact O-N 3.14Å; N344-Q347 PolarHBondContact OD1-N 3.04Å; N344-Q347 VanDerWaalsContact OD1-N 3.09Å; R345-Q347 VanDerWaalsContact C-N 3.33Å; R345-Q347 PolarHBondContact O-N 3.31Å; Q347-N350 CarbonylContact O-C 3.47Å; Q347-N350 PolarHBondContact O-N 3.14Å
348	L	98.4	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-37.6	175	-65.1	171.8	0	0	0	112.2	I142 L343 N344 R345 N350 M351 H460 K463 Q464	I142-L348 HydrophobicContact CG2-CD1 3.53Å; L343-L348 HydrophobicContact CB-CD2 4.01Å; L343-L348 HydrophobicContact CB-CG 4.08Å; L343-L348 HydrophobicContact CD1-CD2 3.99Å; N344-L348 PolarHBondContact O-N 3.14Å; N344-L348 VanDerWaalsContact O-N 3.09Å; R345-L348 PolarHBondContact O-N 2.86Å; L348-N350 PolarHBondContact O-N 2.92Å; L348-M351 HydrophobicContact CD2-CE 4.17Å; L348-M351 HydrophobicContact CD2-SD 4.14Å; L348-H460 HydrophobicContact CD1-CB 4.22Å; L348-K463 HydrophobicContact CD2-CB 4.33Å; L348-K463 WeakPolarHBondContact O-CD 3.5Å; L348-K463 PolarHBondContact O-NZ 3.35Å; L348-Q464 HydrophobicContact CD1-CG 4.04Å; L348-Q464 HydrophobicContact CD2-CG 4.05Å
349	D	97.5	Very high	96.5	Very high	76 Å²	76	45 Å²	45	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-22.7	175.6	-72.1	-16.6	0	0	0	111.6	R345 K346 M351 H460	R345-D349 WeakPolarHBondContact CG-OD2 3.15Å; R345-D349 IonicContact NE-OD2 3.08Å; R345-D349 WeakPolarHBondContact O-CB 3.27Å; R345-D349 PolarHBondContact O-N 3.47Å; K346-D349 PolarHBondContact O-N 3.4Å; D349-M351 VanDerWaalsContact C-N 3.34Å; D349-M351 PolarHBondContact O-N 3.07Å; D349-H460 IonicContact OD1-CD2 2.77Å; D349-H460 IonicContact OD1-CE1 2.68Å; D349-H460 IonicContact OD1-NE2 3.08Å; D349-H460 PolarHBondContact OD1-NE2 3.32Å
350	N	97.4	Very high	97.3	Very high	102 Å²	102	36.6 Å²	36.6	55%	0.545	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	44.4	178	-163.5	66.8	0	0	0	112.9	I326 K346 Q347 L348 P352	I326-N350 WeakPolarHBondContact CD1-O 3.45Å; K346-N350 WeakPolarHBondContact O-CB 3.39Å; K346-N350 PolarHBondContact O-N 3.32Å; K346-N350 VanDerWaalsContact O-N 3.1Å; Q347-N350 CarbonylContact O-C 3.47Å; Q347-N350 PolarHBondContact O-N 3.14Å; L348-N350 PolarHBondContact O-N 2.92Å; N350-P352 VanDerWaalsContact C-CD 3.49Å
351	M	98.5	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.			trans	-127.9	67.9	177	-68.2	177.2	170.9	0	0	110.3	E322 I326 L343 L348 D349 I353 L354 D355 K463	E322-M351 WeakPolarHBondContact OE1-CA 3.44Å; E322-M351 WeakPolarHBondContact OE2-CB 3.41Å; I326-M351 HydrophobicContact CB-CE 3.98Å; I326-M351 HydrophobicContact CG1-CE 4.17Å; I326-M351 HydrophobicContact CG1-CG 4.13Å; I326-M351 HydrophobicContact CG2-CE 3.55Å; L343-M351 HydrophobicContact CD1-CE 3.64Å; L348-M351 HydrophobicContact CD2-CE 4.17Å; L348-M351 HydrophobicContact CD2-SD 4.14Å; D349-M351 VanDerWaalsContact C-N 3.34Å; D349-M351 PolarHBondContact O-N 3.07Å; M351-I353 VanDerWaalsContact C-N 3.33Å; M351-I353 PolarHBondContact O-N 3.48Å; M351-L354 HydrophobicContact CB-CB 4.26Å; M351-L354 PolarHBondContact O-N 3.15Å; M351-L354 HydrophobicContact SD-CD1 3.9Å; M351-D355 WeakPolarHBondContact O-CB 3.25Å; M351-D355 PolarHBondContact O-N 3.47Å; M351-K463 HydrophobicContact CB-CD 4.26Å; M351-K463 PolarHBondContact O-NZ 3.46Å; M351-K463 HydrophobicContact SD-CB 4.45Å; M351-K463 HydrophobicContact SD-CD 4.22Å
352	P	98.6	Very high	98.1	Very high	30 Å²	30	34.2 Å²	34.2	20%	0.195	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-34.1	-175.7	24.7	-35.5	0	0	0	114	E322 N350 D355 S356 L421	E322-P352 WeakPolarHBondContact OE1-CD 3.27Å; E322-P352 WeakPolarHBondContact OE1-CG 3.21Å; N350-P352 VanDerWaalsContact C-CD 3.49Å; P352-D355 WeakPolarHBondContact O-CB 3.45Å; P352-D355 PolarHBondContact O-N 3.21Å; P352-S356 WeakPolarHBondContact O-CB 3.26Å; P352-S356 PolarHBondContact O-N 2.81Å; P352-L421 HydrophobicContact CB-CD2 4.04Å
353	I	98.9	Very high	98.3	Very high	27 Å²	27	31.7 Å²	31.7	14%	0.138	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-51.6	178.2	-55.4	-56.2	0	0	0	110	A318 A319 E322 M351 D355 S356 I357 Y417 L421	A318-I353 HydrophobicContact CB-CG2 3.89Å; A319-I353 HydrophobicContact CB-CG2 4.48Å; E322-I353 HydrophobicContact CB-CB 4.31Å; E322-I353 HydrophobicContact CB-CG1 4.24Å; E322-I353 VanDerWaalsContact CD-CB 3.49Å; E322-I353 WeakPolarHBondContact OE1-CB 3.46Å; E322-I353 WeakPolarHBondContact OE1-CG1 3.43Å; E322-I353 PolarHBondContact OE1-N 3.32Å; E322-I353 WeakPolarHBondContact OE2-CB 3.42Å; E322-I353 PolarHBondContact OE2-N 3.13Å; M351-I353 VanDerWaalsContact C-N 3.33Å; M351-I353 PolarHBondContact O-N 3.48Å; I353-D355 VanDerWaalsContact C-N 3.29Å; I353-D355 PolarHBondContact O-N 2.6Å; I353-S356 PolarHBondContact O-N 2.78Å; I353-S356 VanDerWaalsContact O-N 3.15Å; I353-I357 HydrophobicContact CG2-CD1 3.84Å; I353-I357 WeakPolarHBondContact O-CG1 3.37Å; I353-I357 PolarHBondContact O-N 2.74Å; I353-Y417 HydrophobicContact CG2-CD2 4.27Å; I353-Y417 HydrophobicContact CG2-CE2 4.4Å; I353-L421 HydrophobicContact CD1-CD1 3.32Å; I353-L421 HydrophobicContact CD1-CD2 4.37Å; I353-L421 HydrophobicContact CD1-CG 4.48Å
354	L	98.8	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-37.2	175.5	-71.5	-173.2	0	0	0	111.8	A319 E322 V323 M351 S356 I357 I358 K463 L466 L470	A319-L354 HydrophobicContact CB-CD2 3.82Å; E322-L354 WeakPolarHBondContact OE2-CG 3.43Å; E322-L354 PolarHBondContact OE2-N 2.83Å; V323-L354 HydrophobicContact CG2-CD1 3.89Å; M351-L354 HydrophobicContact CB-CB 4.26Å; M351-L354 PolarHBondContact O-N 3.15Å; M351-L354 HydrophobicContact SD-CD1 3.9Å; L354-S356 VanDerWaalsContact C-N 3.35Å; L354-S356 PolarHBondContact O-N 3.18Å; L354-I357 HydrophobicContact CD2-CD1 4.27Å; L354-I357 PolarHBondContact O-N 3.49Å; L354-I358 WeakPolarHBondContact O-CB 3.21Å; L354-I358 WeakPolarHBondContact O-CD1 3.22Å; L354-I358 WeakPolarHBondContact O-CG1 3.4Å; L354-I358 PolarHBondContact O-N 2.85Å; L354-K463 HydrophobicContact CB-CG 4.17Å; L354-K463 HydrophobicContact CD1-CG 4.43Å; L354-L466 HydrophobicContact CD1-CB 4.47Å; L354-L466 HydrophobicContact CD2-CB 4.29Å; L354-L466 HydrophobicContact CD2-CD1 4.08Å; L354-L470 HydrophobicContact CD2-CD1 4.47Å
355	D	98.9	Very high	98.5	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.16	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-46.3	172.2	-89.9	-37.6	0	0	0	112.2	M351 P352 I353 I358 K359 V459 K463	M351-D355 WeakPolarHBondContact O-CB 3.25Å; M351-D355 PolarHBondContact O-N 3.47Å; P352-D355 WeakPolarHBondContact O-CB 3.45Å; P352-D355 PolarHBondContact O-N 3.21Å; I353-D355 VanDerWaalsContact C-N 3.29Å; I353-D355 PolarHBondContact O-N 2.6Å; D355-I358 PolarHBondContact O-N 3.38Å; D355-K359 VanDerWaalsContact O-CB 3.3Å; D355-K359 WeakPolarHBondContact O-CB 3.37Å; D355-K359 WeakPolarHBondContact O-CG 3.35Å; D355-K359 PolarHBondContact O-N 3.28Å; D355-V459 WeakPolarHBondContact OD1-CG1 3.27Å; D355-K463 WeakPolarHBondContact OD1-CE 3.28Å; D355-K463 IonicContact OD1-NZ 2.72Å; D355-K463 PolarHBondContact OD1-NZ 2.84Å; D355-K463 IonicContact OD2-NZ 2.92Å; D355-K463 PolarHBondContact OD2-NZ 3.1Å
356	S	98.9	Very high	98.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-40.1	-179.1	-175.1	0	0	0	0	111.7	P352 I353 L354 K359 E360 Y417 Y420	P352-S356 WeakPolarHBondContact O-CB 3.26Å; P352-S356 PolarHBondContact O-N 2.81Å; I353-S356 PolarHBondContact O-N 2.78Å; I353-S356 VanDerWaalsContact O-N 3.15Å; L354-S356 VanDerWaalsContact C-N 3.35Å; L354-S356 PolarHBondContact O-N 3.18Å; S356-K359 PolarHBondContact O-N 2.87Å; S356-E360 WeakPolarHBondContact O-CB 3.22Å; S356-E360 PolarHBondContact O-N 2.82Å; S356-Y417 CarbonylContact C-O 3.57Å; S356-Y417 WeakPolarHBondContact CB-O 3.17Å; S356-Y417 PolarHBondContact OG-O 3.5Å; S356-Y420 WeakPolarHBondContact OG-CB 3.23Å; S356-Y420 PolarHBondContact OG-N 3.4Å; S356-Y420 VanDerWaalsContact OG-N 3.16Å
357	I	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-49.5	173.8	-72	160.1	0	0	0	111.1	L309 A315 A319 I353 L354 E360 A361 F415	L309-I357 HydrophobicContact CD1-CD1 4.12Å; A315-I357 HydrophobicContact CB-CD1 4.36Å; A319-I357 HydrophobicContact CB-CD1 3.86Å; I353-I357 HydrophobicContact CG2-CD1 3.84Å; I353-I357 WeakPolarHBondContact O-CG1 3.37Å; I353-I357 PolarHBondContact O-N 2.74Å; L354-I357 HydrophobicContact CD2-CD1 4.27Å; L354-I357 PolarHBondContact O-N 3.49Å; I357-E360 PolarHBondContact O-N 3.25Å; I357-A361 VanDerWaalsContact O-CB 3.3Å; I357-A361 WeakPolarHBondContact O-CB 3.38Å; I357-A361 PolarHBondContact O-N 3.43Å; I357-F415 HydrophobicContact CG1-CZ 4.41Å; I357-F415 HydrophobicContact CG2-CZ 4.26Å
358	I	98.9	Very high	98.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-45.2	-180	-65.6	164.5	0	0	0	110.1	L354 D355 E360 A361 M362 V459 I462 K463 L466	L354-I358 WeakPolarHBondContact O-CB 3.21Å; L354-I358 WeakPolarHBondContact O-CD1 3.22Å; L354-I358 WeakPolarHBondContact O-CG1 3.4Å; L354-I358 PolarHBondContact O-N 2.85Å; D355-I358 PolarHBondContact O-N 3.38Å; I358-E360 VanDerWaalsContact C-N 3.35Å; I358-E360 PolarHBondContact O-N 3.2Å; I358-A361 PolarHBondContact O-N 3.13Å; I358-M362 HydrophobicContact CG2-CG 4.34Å; I358-M362 HydrophobicContact CG2-SD 3.93Å; I358-M362 WeakPolarHBondContact O-CB 3.29Å; I358-M362 VanDerWaalsContact O-CG 3.27Å; I358-M362 WeakPolarHBondContact O-CG 3.47Å; I358-M362 PolarHBondContact O-N 2.86Å; I358-V459 HydrophobicContact CD1-CG1 4.45Å; I358-I462 HydrophobicContact CD1-CB 4.03Å; I358-I462 HydrophobicContact CD1-CG2 3.62Å; I358-I462 HydrophobicContact CG1-CG2 3.73Å; I358-I462 HydrophobicContact CG2-CD1 4.36Å; I358-K463 HydrophobicContact CD1-CG 3.68Å; I358-L466 HydrophobicContact CD1-CD1 4.36Å; I358-L466 HydrophobicContact CG1-CD1 4.18Å
359	K	98.9	Very high	98.3	Very high	25 Å²	25	16.3 Å²	16.3	11%	0.109	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-44.6	177	-76	177.2	177.5	108.6	0	111.7	D355 S356 M362 R363 Y420 E427 Y442	D355-K359 VanDerWaalsContact O-CB 3.3Å; D355-K359 WeakPolarHBondContact O-CB 3.37Å; D355-K359 WeakPolarHBondContact O-CG 3.35Å; D355-K359 PolarHBondContact O-N 3.28Å; S356-K359 PolarHBondContact O-N 2.87Å; K359-M362 PolarHBondContact O-N 2.85Å; K359-R363 WeakPolarHBondContact O-CB 3.33Å; K359-R363 PolarHBondContact O-N 2.77Å; K359-Y420 HydrophobicContact CB-CD1 4.5Å; K359-Y420 HydrophobicContact CB-CD2 3.5Å; K359-Y420 HydrophobicContact CB-CE2 3.7Å; K359-Y420 HydrophobicContact CB-CG 3.94Å; K359-Y420 HydrophobicContact CD-CD1 4.02Å; K359-Y420 HydrophobicContact CD-CD2 4.3Å; K359-Y420 HydrophobicContact CD-CG 3.84Å; K359-E427 WeakPolarHBondContact CE-OE1 3.34Å; K359-E427 IonicContact NZ-OE1 2.71Å; K359-E427 PolarHBondContact NZ-OE1 3.19Å; K359-Y442 HydrophobicContact CB-CE2 3.98Å; K359-Y442 HydrophobicContact CG-CE1 4.02Å; K359-Y442 HydrophobicContact CG-CE2 4.15Å; K359-Y442 WeakPolarHBondContact O-CE2 3.14Å
360	E	98.9	Very high	98.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.9	-42.1	179.1	-179.3	66.4	171.6	0	0	112.1	S356 I357 I358 M362 R363 L364 T414 F415 K416 R419 Y420	S356-E360 WeakPolarHBondContact O-CB 3.22Å; S356-E360 PolarHBondContact O-N 2.82Å; I357-E360 PolarHBondContact O-N 3.25Å; I358-E360 VanDerWaalsContact C-N 3.35Å; I358-E360 PolarHBondContact O-N 3.2Å; E360-M362 VanDerWaalsContact C-N 3.33Å; E360-M362 PolarHBondContact O-N 2.98Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 2.98Å; E360-R363 IonicContact OE1-CZ 3.32Å; E360-R363 IonicContact OE1-NE 2.74Å; E360-R363 IonicContact OE1-NH2 2.73Å; E360-R363 PolarHBondContact OE1-NH2 3.05Å; E360-R363 IonicContact OE2-CZ 2.93Å; E360-R363 IonicContact OE2-NE 3.77Å; E360-R363 PolarHBondContact OE2-NE 2.63Å; E360-R363 IonicContact OE2-NH2 3.22Å; E360-L364 HydrophobicContact CG-CD1 4.39Å; E360-L364 PolarHBondContact O-N 2.81Å; E360-T414 VanDerWaalsContact OE1-O 3.05Å; E360-F415 HydrophobicContact CB-CD2 4.11Å; E360-F415 HydrophobicContact CB-CE2 3.84Å; E360-F415 HydrophobicContact CG-CD2 3.38Å; E360-F415 HydrophobicContact CG-CE2 3.63Å; E360-F415 HydrophobicContact CG-CG 4.13Å; E360-K416 WeakPolarHBondContact CG-O 3.25Å; E360-K416 PolarHBondContact OE1-N 3.49Å; E360-R419 IonicContact OE1-CZ 2.69Å; E360-R419 IonicContact OE1-NE 3.85Å; E360-R419 PolarHBondContact OE1-NE 3.29Å; E360-R419 IonicContact OE1-NH2 3.91Å; E360-R419 PolarHBondContact OE1-NH2 3.27Å; E360-R419 WeakPolarHBondContact OE2-CD 3.47Å; E360-R419 IonicContact OE2-NE 3.87Å; E360-R419 PolarHBondContact OE2-NE 2.86Å; E360-R419 VanDerWaalsContact OE2-NE 3.08Å; E360-Y420 HydrophobicContact CB-CD2 4.46Å; E360-Y420 HydrophobicContact CB-CE2 4.38Å
361	A	98.9	Very high	98	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.7	-43.6	174.7	0	0	0	0	0	111.6	W304 Y308 I357 I358 L364 S365	W304-A361 HydrophobicContact CB-CB 4.09Å; Y308-A361 HydrophobicContact CD2-CB 4.03Å; I357-A361 VanDerWaalsContact O-CB 3.3Å; I357-A361 WeakPolarHBondContact O-CB 3.38Å; I357-A361 PolarHBondContact O-N 3.43Å; I358-A361 PolarHBondContact O-N 3.13Å; A361-L364 PolarHBondContact O-N 3.23Å; A361-S365 WeakPolarHBondContact O-CB 3.39Å; A361-S365 PolarHBondContact O-N 2.83Å; A361-S365 VanDerWaalsContact O-N 3.08Å; A361-S365 PolarHBondContact O-OG 3.45Å
362	M	98.9	Very high	97.9	Very high	6 Å²	6	9.8 Å²	9.8	3%	0.03	5%	0.052	C	C	.	.	H	α-helix	trans	-72.4	-32.7	176.8	-67.2	-176.7	85	0	0	112.8	A301 I358 K359 E360 L364 S365 S366 Y442 P444 F445 I496	A301-M362 HydrophobicContact CB-CE 4.42Å; A301-M362 HydrophobicContact CB-CG 4.33Å; I358-M362 HydrophobicContact CG2-CG 4.34Å; I358-M362 HydrophobicContact CG2-SD 3.93Å; I358-M362 WeakPolarHBondContact O-CB 3.29Å; I358-M362 VanDerWaalsContact O-CG 3.27Å; I358-M362 WeakPolarHBondContact O-CG 3.47Å; I358-M362 PolarHBondContact O-N 2.86Å; K359-M362 PolarHBondContact O-N 2.85Å; E360-M362 VanDerWaalsContact C-N 3.33Å; E360-M362 PolarHBondContact O-N 2.98Å; M362-L364 VanDerWaalsContact C-N 3.25Å; M362-L364 PolarHBondContact O-N 2.97Å; M362-S365 PolarHBondContact O-N 2.65Å; M362-S366 WeakPolarHBondContact O-CB 3.33Å; M362-S366 PolarHBondContact O-N 2.9Å; M362-Y442 HydrophobicContact CB-CE2 4.3Å; M362-Y442 PolarHBondContact SD-OH 2.82Å; M362-Y442 VanDerWaalsContact SD-OH 3.39Å; M362-P444 HydrophobicContact CB-CB 4.25Å; M362-P444 HydrophobicContact CB-CG 4.09Å; M362-P444 HydrophobicContact CE-CB 3.85Å; M362-P444 HydrophobicContact CE-CG 4.02Å; M362-P444 HydrophobicContact SD-CG 4.4Å; M362-F445 HydrophobicContact CE-CE1 3.88Å; M362-F445 HydrophobicContact CE-CE2 3.96Å; M362-F445 HydrophobicContact CE-CZ 3.52Å; M362-F445 HydrophobicContact SD-CE2 4.03Å; M362-F445 HydrophobicContact SD-CZ 3.82Å; M362-I496 HydrophobicContact CB-CD1 4.36Å; M362-I496 HydrophobicContact CE-CD1 3.65Å; M362-I496 HydrophobicContact CE-CG1 4.03Å; M362-I496 HydrophobicContact CG-CD1 4.34Å
363	R	98.8	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.7	-41	171.6	-173.4	-165.2	66.3	74.3	1.6	110.2	K359 E360 H403 F404 P412 Y420	K359-R363 WeakPolarHBondContact O-CB 3.33Å; K359-R363 PolarHBondContact O-N 2.77Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 2.98Å; E360-R363 IonicContact OE1-CZ 3.32Å; E360-R363 IonicContact OE1-NE 2.74Å; E360-R363 IonicContact OE1-NH2 2.73Å; E360-R363 PolarHBondContact OE1-NH2 3.05Å; E360-R363 IonicContact OE2-CZ 2.93Å; E360-R363 IonicContact OE2-NE 3.77Å; E360-R363 PolarHBondContact OE2-NE 2.63Å; E360-R363 IonicContact OE2-NH2 3.22Å; R363-H403 HydrophobicContact CG-CB 3.69Å; R363-H403 PolarHBondContact NH1-O 3.39Å; R363-F404 WeakPolarHBondContact O-CE1 3.28Å; R363-P412 PolarHBondContact NH1-O 3.02Å; R363-P412 PolarHBondContact NH2-O 2.97Å; R363-Y420 WeakPolarHBondContact CD-OH 3.41Å
364	L	98.8	Very high	97.8	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.031	4%	0.04	C	C	.	.	H	α-helix	trans	-76.4	-25.3	-179.7	-75.1	172.8	0	0	0	114.5	Y308 E360 A361 M362 F404 P412 F415 L487	Y308-L364 HydrophobicContact CE1-CD1 4.33Å; Y308-L364 HydrophobicContact CE2-CB 4.25Å; Y308-L364 HydrophobicContact CE2-CD1 4.05Å; E360-L364 HydrophobicContact CG-CD1 4.39Å; E360-L364 PolarHBondContact O-N 2.81Å; A361-L364 PolarHBondContact O-N 3.23Å; M362-L364 VanDerWaalsContact C-N 3.25Å; M362-L364 PolarHBondContact O-N 2.97Å; L364-F404 HydrophobicContact CD2-CE1 4.15Å; L364-F404 WeakPolarHBondContact O-CZ 3.24Å; L364-P412 WeakPolarHBondContact CD2-O 3.48Å; L364-F415 HydrophobicContact CD1-CB 3.76Å; L364-F415 HydrophobicContact CD1-CD2 4.11Å; L364-F415 HydrophobicContact CD1-CG 4.45Å; L364-L487 WeakPolarHBondContact O-CD1 3.17Å
365	S	98.7	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-112.9	-11.1	-174.2	56.9	0	0	0	0	115	A361 M362 I496 L497	A361-S365 WeakPolarHBondContact O-CB 3.39Å; A361-S365 PolarHBondContact O-N 2.83Å; A361-S365 VanDerWaalsContact O-N 3.08Å; A361-S365 PolarHBondContact O-OG 3.45Å; M362-S365 PolarHBondContact O-N 2.65Å; S365-I496 WeakPolarHBondContact OG-CG2 3.27Å; S365-L497 WeakPolarHBondContact O-CB 3.35Å; S365-L497 PolarHBondContact O-N 2.92Å
366	S	98.5	Very high	97.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-75	131.6	179.3	-173.7	0	0	0	0	112.6	M362 S368 Q400 P444	M362-S366 WeakPolarHBondContact O-CB 3.33Å; M362-S366 PolarHBondContact O-N 2.9Å; S366-S368 PolarHBondContact OG-N 2.86Å; S366-S368 PolarHBondContact OG-OG 2.93Å; S366-Q400 WeakPolarHBondContact O-CB 3.41Å; S366-Q400 WeakPolarHBondContact O-CG 3.32Å; S366-Q400 PolarHBondContact O-NE2 2.79Å; S366-P444 WeakPolarHBondContact OG-CA 3.39Å
367	A	97.7	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.			trans	-130.1	33.3	168.2	0	0	0	0	0	110.8	Y398 A492 G493 G495 L497	A367-Y398 HydrophobicContact CB-CE2 4.13Å; A367-Y398 WeakPolarHBondContact O-CE2 3.49Å; A367-A492 HydrophobicContact CB-CB 4.44Å; A367-G493 WeakPolarHBondContact O-CA 3.42Å; A367-G493 PolarHBondContact O-N 3.44Å; A367-G495 CarbonylContact C-O 3.56Å; A367-G495 PolarHBondContact N-O 3.18Å; A367-L497 HydrophobicContact CB-CD1 3.67Å; A367-L497 HydrophobicContact CB-CD2 3.69Å; A367-L497 HydrophobicContact CB-CG 3.61Å
368	S	96	Very high	97.6	Very high	16 Å²	16	18.9 Å²	18.9	11%	0.112	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-58.7	141.7	-179.7	-57.3	0	0	0	0	111.5	S366 P399 P444 G495	S366-S368 PolarHBondContact OG-N 2.86Å; S366-S368 PolarHBondContact OG-OG 2.93Å; S368-P399 WeakPolarHBondContact O-CD 3.38Å; S368-P444 PolarHBondContact OG-O 3.03Å; S368-G495 PolarHBondContact N-O 3.22Å; S368-G495 WeakPolarHBondContact OG-CA 3.38Å
369	M	95.1	Very high	97.5	Very high	21 Å²	21	21.2 Å²	21.2	10%	0.103	11%	0.11	C	C	.	.			trans	-108.4	133.9	167	-80.8	-174.2	76	0	0	110.9	F48 F78 F371 A396 L397 Y398 G493	F48-M369 HydrophobicContact CE1-SD 4.41Å; F48-M369 HydrophobicContact CZ-CE 4.47Å; F48-M369 HydrophobicContact CZ-SD 3.8Å; F78-M369 HydrophobicContact CD1-CE 4.44Å; F78-M369 HydrophobicContact CE1-CE 3.47Å; F78-M369 VanDerWaalsContact CE1-CE 3.47Å; F78-M369 HydrophobicContact CZ-CE 3.98Å; M369-F371 HydrophobicContact CB-CD2 4.26Å; M369-F371 HydrophobicContact CB-CE1 4.17Å; M369-F371 HydrophobicContact CB-CE2 3.51Å; M369-F371 HydrophobicContact CB-CZ 3.48Å; M369-F371 VanDerWaalsContact CB-CZ 3.48Å; M369-F371 HydrophobicContact CE-CD1 4.24Å; M369-F371 HydrophobicContact CE-CE1 3.29Å; M369-F371 HydrophobicContact CE-CZ 3.53Å; M369-F371 HydrophobicContact CG-CZ 4.16Å; M369-F371 HydrophobicContact SD-CE1 4.08Å; M369-F371 HydrophobicContact SD-CZ 3.66Å; M369-A396 HydrophobicContact CE-CB 3.74Å; M369-L397 WeakPolarHBondContact CA-O 3.4Å; M369-Y398 HydrophobicContact CG-CD2 3.53Å; M369-Y398 HydrophobicContact CG-CE2 4.12Å; M369-Y398 HydrophobicContact SD-CD2 4.36Å; M369-G493 PolarHBondContact N-O 3.3Å
370	T	94.1	Very high	97.5	Very high	10 Å²	10	20 Å²	20	6%	0.061	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.8	168.6	-61.2	0	0	0	0	108.4	A396 L397	T370-A396 CarbonylContact O-C 3.6Å; T370-A396 WeakPolarHBondContact O-CA 3.46Å; T370-L397 HydrophobicContact CG2-CD1 4.49Å; T370-L397 PolarHBondContact N-O 3.23Å; T370-L397 PolarHBondContact O-N 3.48Å
371	F	94.3	Very high	97.3	Very high	24 Å²	24	25.3 Å²	25.3	11%	0.105	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143	179.3	-60.6	-74.8	0	0	0	111.6	F100 M369 I394 A396	F100-F371 HydrophobicContact CB-CB 4.45Å; F100-F371 HydrophobicContact CD1-CB 3.97Å; F100-F371 AromaticContact CD1-CD2 3.67Å; F100-F371 HydrophobicContact CD1-CD2 3.67Å; F100-F371 HydrophobicContact CD1-CE2 4.34Å; F100-F371 AromaticContact CD1-CG 3.92Å; F100-F371 HydrophobicContact CD1-CG 3.92Å; F100-F371 HydrophobicContact CE1-CB 4.47Å; F100-F371 AromaticContact CE1-CD2 3.38Å; F100-F371 HydrophobicContact CE1-CD2 3.38Å; F100-F371 AromaticContact CE1-CE2 3.58Å; F100-F371 HydrophobicContact CE1-CE2 3.58Å; F100-F371 AromaticContact CE1-CG 3.91Å; F100-F371 HydrophobicContact CE1-CG 3.91Å; F100-F371 HydrophobicContact CE1-CZ 4.24Å; F100-F371 HydrophobicContact CG-CB 4.16Å; F100-F371 HydrophobicContact CG-CG 4.36Å; F100-F371 HydrophobicContact CZ-CD2 4.04Å; F100-F371 HydrophobicContact CZ-CE1 4.44Å; F100-F371 AromaticContact CZ-CE2 3.95Å; F100-F371 HydrophobicContact CZ-CE2 3.95Å; F100-F371 HydrophobicContact CZ-CG 4.33Å; F100-F371 HydrophobicContact CZ-CZ 4.14Å; M369-F371 HydrophobicContact CB-CD2 4.26Å; M369-F371 HydrophobicContact CB-CE1 4.17Å; M369-F371 HydrophobicContact CB-CE2 3.51Å; M369-F371 HydrophobicContact CB-CZ 3.48Å; M369-F371 VanDerWaalsContact CB-CZ 3.48Å; M369-F371 HydrophobicContact CE-CD1 4.24Å; M369-F371 HydrophobicContact CE-CE1 3.29Å; M369-F371 HydrophobicContact CE-CZ 3.53Å; M369-F371 HydrophobicContact CG-CZ 4.16Å; M369-F371 HydrophobicContact SD-CE1 4.08Å; M369-F371 HydrophobicContact SD-CZ 3.66Å; F371-I394 HydrophobicContact CB-CG2 4.19Å; F371-I394 HydrophobicContact CD1-CG2 3.6Å; F371-I394 HydrophobicContact CE1-CG2 4.47Å; F371-I394 HydrophobicContact CG-CG2 4.37Å; F371-A396 HydrophobicContact CD1-CB 3.93Å; F371-A396 HydrophobicContact CE1-CB 4.19Å
372	R	95.9	Very high	97.1	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.3	167.3	-63.5	-64.6	-179.3	-96	1.2	109.4	L88 L95 D96 W97 I394 V395	L88-R372 HydrophobicContact CB-CG 4.39Å; L88-R372 HydrophobicContact CD2-CG 3.89Å; L88-R372 HydrophobicContact CG-CG 4.16Å; L95-R372 HydrophobicContact CB-CB 4Å; L95-R372 HydrophobicContact CB-CG 4.34Å; L95-R372 HydrophobicContact CD1-CB 4.47Å; L95-R372 HydrophobicContact CD2-CB 3.93Å; L95-R372 HydrophobicContact CG-CB 4.36Å; D96-R372 CarbonylContact O-C 3.53Å; D96-R372 VanDerWaalsContact O-CA 3.27Å; D96-R372 WeakPolarHBondContact O-CA 3.27Å; W97-R372 VanDerWaalsContact CB-CZ 3.47Å; R372-I394 CarbonylContact O-C 3.56Å; R372-I394 VanDerWaalsContact O-CA 3.27Å; R372-I394 WeakPolarHBondContact O-CA 3.47Å; R372-V395 PolarHBondContact N-O 2.7Å; R372-V395 PolarHBondContact O-N 2.95Å
373	V	97.3	Very high	96.5	Very high	12 Å²	12	29.5 Å²	29.5	7%	0.073	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.7	177.4	-175	0	0	0	0	109	L95 D96 K99 F100 N375 I394	L95-V373 CarbonylContact C-O 3.57Å; D96-V373 PolarHBondContact N-O 3.11Å; D96-V373 PolarHBondContact O-N 3.47Å; K99-V373 HydrophobicContact CB-CB 4.47Å; K99-V373 HydrophobicContact CB-CG2 4.27Å; K99-V373 HydrophobicContact CD-CG1 4.26Å; F100-V373 HydrophobicContact CB-CG2 3.93Å; V373-N375 PolarHBondContact O-N 2.84Å; V373-I394 HydrophobicContact CG2-CG1 4.47Å
374	A	98.1	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.6	174.2	0	0	0	0	0	110.6	H94 E376 F378 I389 R390 D392 D393	H94-A374 CarbonylContact O-C 3.56Å; H94-A374 WeakPolarHBondContact O-CA 3.44Å; A374-E376 VanDerWaalsContact C-N 3.33Å; A374-F378 HydrophobicContact CB-CD1 4.23Å; A374-F378 HydrophobicContact CB-CE1 3.84Å; A374-I389 HydrophobicContact CB-CG2 3.79Å; A374-R390 VanDerWaalsContact CB-O 3.28Å; A374-R390 WeakPolarHBondContact CB-O 3.48Å; A374-D392 WeakPolarHBondContact O-CA 3.35Å; A374-D392 PolarHBondContact O-N 3Å; A374-D393 PolarHBondContact N-O 2.86Å
375	N	96.9	Very high	95.7	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	-76.5	-23.4	178.8	-77.8	-27.5	0	0	0	113.2	H94 D96 V373 R391	H94-N375 PolarHBondContact O-N 3.5Å; D96-N375 WeakPolarHBondContact CB-OD1 3.22Å; V373-N375 PolarHBondContact O-N 2.84Å; N375-R391 WeakPolarHBondContact O-CG 3.27Å
376	E	97.7	Very high	95.5	Very high	95 Å²	95	49.3 Å²	49.3	44%	0.444	24%	0.237	S	C	.	.	S	Bend	trans	-151.1	168.5	-178.3	62	-171.1	169.5	0	0	110	H94 A374 F378	H94-E376 IonicContact CE1-OE1 3.52Å; H94-E376 PolarHBondContact CE1-OE1 2.87Å; H94-E376 VanDerWaalsContact CE1-OE1 3.27Å; H94-E376 IonicContact CG-OE1 3.52Å; H94-E376 IonicContact ND1-OE1 2.7Å; H94-E376 PolarHBondContact ND1-OE1 2.87Å; A374-E376 VanDerWaalsContact C-N 3.33Å; E376-F378 PolarHBondContact O-N 3.06Å
377	D	98.2	Very high	95.5	Very high	99 Å²	99	50.9 Å²	50.9	53%	0.529	24%	0.243	S	C	.	.	S	Bend	trans	-66.3	124.5	167.6	-76.9	17.3	0	0	0	107.9	I389 R390 R391	D377-I389 WeakPolarHBondContact CA-O 3.09Å; D377-R390 WeakPolarHBondContact OD1-CA 3.3Å; D377-R391 WeakPolarHBondContact OD1-CB 3.25Å; D377-R391 PolarHBondContact OD1-N 3.13Å
378	F	98.3	Very high	95.6	Very high	18 Å²	18	53.5 Å²	53.5	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167	-178.7	82.3	-74.2	0	0	0	112.2	H94 L95 A374 E376 L380 I389	H94-F378 HydrophobicContact CB-CB 4.25Å; H94-F378 HydrophobicContact CB-CD1 3.92Å; H94-F378 HydrophobicContact CB-CD2 3.72Å; H94-F378 HydrophobicContact CB-CE1 4.18Å; H94-F378 HydrophobicContact CB-CE2 4.01Å; H94-F378 HydrophobicContact CB-CG 3.69Å; H94-F378 HydrophobicContact CB-CZ 4.24Å; H94-F378 AromaticContact CD2-CD2 4Å; H94-F378 AromaticContact CG-CD2 3.88Å; H94-F378 AromaticContact CG-CG 3.97Å; L95-F378 HydrophobicContact CD1-CZ 4.24Å; L95-F378 HydrophobicContact CD2-CE1 3.92Å; L95-F378 HydrophobicContact CD2-CZ 3.69Å; L95-F378 HydrophobicContact CG-CE1 4.37Å; L95-F378 HydrophobicContact CG-CZ 3.8Å; A374-F378 HydrophobicContact CB-CD1 4.23Å; A374-F378 HydrophobicContact CB-CE1 3.84Å; E376-F378 PolarHBondContact O-N 3.06Å; F378-L380 HydrophobicContact CE2-CB 3.94Å; F378-L380 HydrophobicContact CE2-CD1 4.04Å; F378-L380 HydrophobicContact CZ-CB 4.14Å; F378-L380 HydrophobicContact CZ-CD1 4.1Å; F378-I389 HydrophobicContact CD1-CB 3.97Å; F378-I389 HydrophobicContact CD1-CG2 4.35Å; F378-I389 HydrophobicContact CE1-CB 3.58Å; F378-I389 HydrophobicContact CE1-CG1 4.09Å; F378-I389 HydrophobicContact CE1-CG2 3.71Å; F378-I389 HydrophobicContact CZ-CB 4.15Å; F378-I389 HydrophobicContact CZ-CG1 4.14Å; F378-I389 HydrophobicContact CZ-CG2 4.44Å; F378-I389 PolarHBondContact N-O 3.47Å; F378-I389 PolarHBondContact O-N 3.12Å
379	T	97.9	Very high	95.7	Very high	50 Å²	50	52.9 Å²	52.9	31%	0.307	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.3	174.2	-55.7	0	0	0	0	109.8	Q91 H381 F386 Y387 N388	Q91-T379 PolarHBondContact OE1-O 3.21Å; T379-H381 PolarHBondContact O-CD2 3.15Å; T379-H381 PolarHBondContact O-N 3.27Å; T379-F386 HydrophobicContact CG2-CB 3.82Å; T379-F386 HydrophobicContact CG2-CD2 3.86Å; T379-F386 HydrophobicContact CG2-CG 4.24Å; T379-Y387 CarbonylContact C-O 3.59Å; T379-N388 PolarHBondContact OG1-OD1 3.44Å
380	L	97.6	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	110.3	172.3	-179.2	72.9	0	0	0	109.8	I66 L95 F378 L382 F386 Y387 I389 V395	I66-L380 HydrophobicContact CD1-CD2 3.98Å; L95-L380 HydrophobicContact CD1-CD1 4.24Å; F378-L380 HydrophobicContact CE2-CB 3.94Å; F378-L380 HydrophobicContact CE2-CD1 4.04Å; F378-L380 HydrophobicContact CZ-CB 4.14Å; F378-L380 HydrophobicContact CZ-CD1 4.1Å; L380-L382 HydrophobicContact CD2-CD2 3.75Å; L380-L382 HydrophobicContact CG-CD2 3.88Å; L380-F386 CarbonylContact O-C 3.58Å; L380-F386 VanDerWaalsContact O-CA 3.23Å; L380-F386 WeakPolarHBondContact O-CA 3.48Å; L380-Y387 WeakPolarHBondContact CB-O 3.17Å; L380-Y387 PolarHBondContact N-O 2.87Å; L380-Y387 PolarHBondContact O-N 2.95Å; L380-I389 HydrophobicContact CB-CD1 4.32Å; L380-I389 HydrophobicContact CB-CG1 3.62Å; L380-I389 HydrophobicContact CD2-CD1 4.33Å; L380-I389 HydrophobicContact CD2-CG1 4.33Å; L380-V395 HydrophobicContact CD2-CG1 4.45Å
381	H	96.4	Very high	96	Very high	110 Å²	110	59.9 Å²	59.9	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.7	172.4	-64.5	-88.2	0	0	0	110.5	S87 Q91 T379	S87-H381 WeakPolarHBondContact CB-O 3.41Å; Q91-H381 PolarHBondContact NE2-O 3.07Å; T379-H381 PolarHBondContact O-CD2 3.15Å; T379-H381 PolarHBondContact O-N 3.27Å
382	L	94.7	Very high	96.1	Very high	20 Å²	20	62.4 Å²	62.4	11%	0.105	29%	0.291	C	S	.	.			trans	-92.2	-168.5	168.8	-53.3	-174.6	0	0	0	109.3	I66 L79 L380 E385 Y387	I66-L382 HydrophobicContact CB-CD1 4.45Å; I66-L382 HydrophobicContact CD1-CD1 4.21Å; I66-L382 HydrophobicContact CG2-CD1 4.2Å; L79-L382 HydrophobicContact CD1-CD1 3.81Å; L79-L382 HydrophobicContact CD1-CD2 3.93Å; L79-L382 HydrophobicContact CD2-CD2 4.03Å; L380-L382 HydrophobicContact CD2-CD2 3.75Å; L380-L382 HydrophobicContact CG-CD2 3.88Å; L382-E385 WeakPolarHBondContact CA-O 3.45Å; L382-E385 WeakPolarHBondContact CB-O 3.41Å; L382-E385 PolarHBondContact N-O 3.24Å; L382-Y387 HydrophobicContact CD1-CD2 3.84Å; L382-Y387 HydrophobicContact CD1-CE2 3.76Å; L382-Y387 HydrophobicContact CG-CD2 4.3Å
383	E	85.4	Confident	96.2	Very high	74 Å²	74	62.3 Å²	62.3	35%	0.346	29%	0.291	S	S	.	.	S	Bend	trans	-68.4	-41.8	-177.4	-175.4	161.4	-143.1	0	0	113.8	F83 R436	F83-E383 VanDerWaalsContact CB-OE2 3.23Å; F83-E383 WeakPolarHBondContact CB-OE2 3.37Å; E383-R436 IonicContact OE1-CZ 3.53Å; E383-R436 IonicContact OE1-NH1 3.85Å; E383-R436 PolarHBondContact OE1-NH1 3.33Å; E383-R436 IonicContact OE1-NH2 3.52Å; E383-R436 PolarHBondContact OE1-NH2 3.14Å; E383-R436 IonicContact OE2-CZ 2.65Å; E383-R436 IonicContact OE2-NH1 3.56Å; E383-R436 PolarHBondContact OE2-NH1 2.69Å; E383-R436 IonicContact OE2-NH2 3.19Å
384	K	86.6	Confident	96.3	Very high	196 Å²	196	61.9 Å²	61.9	85%	0.852	29%	0.289	S	S	*	.	S	Bend	trans	-122.9	-7.7	-178.8	-61.7	-177	-178.3	177.3	0	113.7
385	E	93.8	Very high	96.3	Very high	96 Å²	96	61.9 Å²	61.9	45%	0.449	29%	0.289	S	S	.	.			trans	-134.2	165.1	-169.7	-58.7	-172.1	138.6	0	0	110.5	L382 Y387	L382-E385 WeakPolarHBondContact CA-O 3.45Å; L382-E385 WeakPolarHBondContact CB-O 3.41Å; L382-E385 PolarHBondContact N-O 3.24Å; E385-Y387 HydrophobicContact CB-CD2 4.36Å; E385-Y387 HydrophobicContact CB-CE2 3.54Å; E385-Y387 HydrophobicContact CG-CE2 4.43Å; E385-Y387 PolarHBondContact OE1-OH 3.49Å; E385-Y387 VanDerWaalsContact OE2-CE2 3.31Å; E385-Y387 WeakPolarHBondContact OE2-CE2 3.08Å; E385-Y387 PolarHBondContact OE2-OH 3.02Å
386	F	96.2	Very high	96.3	Very high	131 Å²	131	59.2 Å²	59.2	58%	0.575	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.2	173.6	63	-89.7	0	0	0	110.4	T379 L380	T379-F386 HydrophobicContact CG2-CB 3.82Å; T379-F386 HydrophobicContact CG2-CD2 3.86Å; T379-F386 HydrophobicContact CG2-CG 4.24Å; L380-F386 CarbonylContact O-C 3.58Å; L380-F386 VanDerWaalsContact O-CA 3.23Å; L380-F386 WeakPolarHBondContact O-CA 3.48Å
387	Y	98	Very high	96.3	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.1	-175.9	-66.3	-87.8	0	0	0	111.5	G30 P32 I66 T379 L380 L382 E385	G30-Y387 CarbonylContact O-C 3.51Å; G30-Y387 VanDerWaalsContact O-CA 3.3Å; G30-Y387 WeakPolarHBondContact O-CA 3.5Å; P32-Y387 HydrophobicContact CB-CD1 4.07Å; P32-Y387 HydrophobicContact CB-CE1 4.48Å; P32-Y387 HydrophobicContact CG-CD1 3.79Å; P32-Y387 HydrophobicContact CG-CG 4Å; I66-Y387 HydrophobicContact CD1-CD2 4.02Å; I66-Y387 HydrophobicContact CD1-CG 4.19Å; I66-Y387 HydrophobicContact CG2-CD1 4.18Å; I66-Y387 HydrophobicContact CG2-CD2 3.7Å; I66-Y387 HydrophobicContact CG2-CE1 3.73Å; I66-Y387 HydrophobicContact CG2-CE2 3.24Å; I66-Y387 HydrophobicContact CG2-CG 4.15Å; T379-Y387 CarbonylContact C-O 3.59Å; L380-Y387 WeakPolarHBondContact CB-O 3.17Å; L380-Y387 PolarHBondContact N-O 2.87Å; L380-Y387 PolarHBondContact O-N 2.95Å; L382-Y387 HydrophobicContact CD1-CD2 3.84Å; L382-Y387 HydrophobicContact CD1-CE2 3.76Å; L382-Y387 HydrophobicContact CG-CD2 4.3Å; E385-Y387 HydrophobicContact CB-CD2 4.36Å; E385-Y387 HydrophobicContact CB-CE2 3.54Å; E385-Y387 HydrophobicContact CG-CE2 4.43Å; E385-Y387 PolarHBondContact OE1-OH 3.49Å; E385-Y387 VanDerWaalsContact OE2-CE2 3.31Å; E385-Y387 WeakPolarHBondContact OE2-CE2 3.08Å; E385-Y387 PolarHBondContact OE2-OH 3.02Å
388	N	98.4	Very high	96.2	Very high	55 Å²	55	50 Å²	50	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	173.6	-64.3	-23.6	0	0	0	109.6	R29 G30 E31 T379	R29-N388 PolarHBondContact O-ND2 3.11Å; R29-N388 VanDerWaalsContact O-ND2 3.1Å; G30-N388 PolarHBondContact O-N 2.86Å; E31-N388 HydrophobicContact CG-CB 4.13Å; T379-N388 PolarHBondContact OG1-OD1 3.44Å
389	I	98.4	Very high	96.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.2	178.3	-55	-57.9	0	0	0	107.5	P32 H77 A374 D377 F378 L380 D393 V395	P32-I389 HydrophobicContact CG-CD1 4.3Å; H77-I389 HydrophobicContact CB-CD1 4.45Å; A374-I389 HydrophobicContact CB-CG2 3.79Å; D377-I389 WeakPolarHBondContact CA-O 3.09Å; F378-I389 HydrophobicContact CD1-CB 3.97Å; F378-I389 HydrophobicContact CD1-CG2 4.35Å; F378-I389 HydrophobicContact CE1-CB 3.58Å; F378-I389 HydrophobicContact CE1-CG1 4.09Å; F378-I389 HydrophobicContact CE1-CG2 3.71Å; F378-I389 HydrophobicContact CZ-CB 4.15Å; F378-I389 HydrophobicContact CZ-CG1 4.14Å; F378-I389 HydrophobicContact CZ-CG2 4.44Å; F378-I389 PolarHBondContact N-O 3.47Å; F378-I389 PolarHBondContact O-N 3.12Å; L380-I389 HydrophobicContact CB-CD1 4.32Å; L380-I389 HydrophobicContact CB-CG1 3.62Å; L380-I389 HydrophobicContact CD2-CD1 4.33Å; L380-I389 HydrophobicContact CD2-CG1 4.33Å; I389-D393 HydrophobicContact CG2-CB 4.27Å; I389-V395 HydrophobicContact CG2-CG2 4.24Å
390	R	98.4	Very high	96.2	Very high	32 Å²	32	46.9 Å²	46.9	12%	0.121	21%	0.21	C	C	.	.			trans	-85.9	151.9	178.5	-52.1	-174.1	-171.1	179.5	8	110.3	K26 E31 A374 D377 D393	K26-R390 PolarHBondContact O-NH2 3.15Å; E31-R390 VanDerWaalsContact CD-NH2 3.27Å; E31-R390 IonicContact OE1-CZ 3.23Å; E31-R390 IonicContact OE1-NE 2.63Å; E31-R390 PolarHBondContact OE1-NE 3.41Å; E31-R390 IonicContact OE1-NH2 3.13Å; E31-R390 PolarHBondContact OE1-NH2 2.73Å; E31-R390 IonicContact OE2-CZ 3.67Å; E31-R390 IonicContact OE2-NE 3.07Å; E31-R390 IonicContact OE2-NH2 3.48Å; E31-R390 PolarHBondContact OE2-NH2 2.99Å; A374-R390 VanDerWaalsContact CB-O 3.28Å; A374-R390 WeakPolarHBondContact CB-O 3.48Å; D377-R390 WeakPolarHBondContact OD1-CA 3.3Å; R390-D393 WeakPolarHBondContact CB-OD2 3.21Å; R390-D393 VanDerWaalsContact O-CB 3.31Å; R390-D393 WeakPolarHBondContact O-CB 3.33Å; R390-D393 PolarHBondContact O-N 2.94Å; R390-D393 VanDerWaalsContact O-N 3.15Å
391	R	97.8	Very high	96.2	Very high	146 Å²	146	47.6 Å²	47.6	55%	0.551	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	140.3	167.3	-178.9	172.9	174	160.1	4.7	111	N375 D377 D393	N375-R391 WeakPolarHBondContact O-CG 3.27Å; D377-R391 WeakPolarHBondContact OD1-CB 3.25Å; D377-R391 PolarHBondContact OD1-N 3.13Å; R391-D393 PolarHBondContact O-N 3.29Å; R391-D393 VanDerWaalsContact O-N 3.12Å
392	D	97.1	Very high	96.2	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-0.1	-178.6	-57.1	-53.7	0	0	0	115.4	K99 A374	K99-D392 IonicContact NZ-OD1 3.94Å; K99-D392 PolarHBondContact NZ-OD1 3.48Å; A374-D392 WeakPolarHBondContact O-CA 3.35Å; A374-D392 PolarHBondContact O-N 3Å
393	D	97.9	Very high	96.4	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.032	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-69.7	155.3	167	-69.6	-15.1	0	0	0	111	R25 Y75 H77 A374 I389 R390 R391	R25-D393 IonicContact CZ-OD1 2.84Å; R25-D393 VanDerWaalsContact CZ-OD1 3.28Å; R25-D393 IonicContact CZ-OD2 3.6Å; R25-D393 IonicContact NH1-OD1 2.74Å; R25-D393 PolarHBondContact NH1-OD1 2.79Å; R25-D393 IonicContact NH1-OD2 2.81Å; R25-D393 PolarHBondContact NH1-OD2 3.23Å; R25-D393 IonicContact NH2-OD1 3.71Å; R25-D393 PolarHBondContact NH2-OD1 3.4Å; R25-D393 IonicContact NH2-OD2 3.61Å; Y75-D393 WeakPolarHBondContact CB-OD1 3.44Å; H77-D393 IonicContact CE1-OD2 2.65Å; H77-D393 WeakPolarHBondContact NE2-CB 3.41Å; H77-D393 IonicContact NE2-OD2 3.27Å; H77-D393 PolarHBondContact NE2-OD2 3.35Å; A374-D393 PolarHBondContact N-O 2.86Å; I389-D393 HydrophobicContact CG2-CB 4.27Å; R390-D393 WeakPolarHBondContact CB-OD2 3.21Å; R390-D393 VanDerWaalsContact O-CB 3.31Å; R390-D393 WeakPolarHBondContact O-CB 3.33Å; R390-D393 PolarHBondContact O-N 2.94Å; R390-D393 VanDerWaalsContact O-N 3.15Å; R391-D393 PolarHBondContact O-N 3.29Å; R391-D393 VanDerWaalsContact O-N 3.12Å
394	I	97.8	Very high	97	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.2	-178.7	-59.6	177	0	0	0	109.3	Q74 Y75 I76 H77 F100 F371 R372 V373 A396	Q74-I394 HydrophobicContact CB-CD1 4.13Å; Q74-I394 HydrophobicContact CG-CD1 4.21Å; Y75-I394 PolarHBondContact O-N 3.39Å; I76-I394 CarbonylContact C-O 3.49Å; I76-I394 VanDerWaalsContact CA-O 3.32Å; I76-I394 WeakPolarHBondContact CA-O 3.5Å; I76-I394 HydrophobicContact CG1-CB 4.26Å; I76-I394 HydrophobicContact CG1-CD1 4.46Å; I76-I394 HydrophobicContact CG2-CB 4.43Å; I76-I394 HydrophobicContact CG2-CG2 4.23Å; H77-I394 PolarHBondContact CD2-O 2.85Å; H77-I394 PolarHBondContact N-O 3.28Å; F100-I394 HydrophobicContact CD2-CD1 3.88Å; F100-I394 HydrophobicContact CE2-CD1 4.05Å; F371-I394 HydrophobicContact CB-CG2 4.19Å; F371-I394 HydrophobicContact CD1-CG2 3.6Å; F371-I394 HydrophobicContact CE1-CG2 4.47Å; F371-I394 HydrophobicContact CG-CG2 4.37Å; R372-I394 CarbonylContact O-C 3.56Å; R372-I394 VanDerWaalsContact O-CA 3.27Å; R372-I394 WeakPolarHBondContact O-CA 3.47Å; V373-I394 HydrophobicContact CG2-CG1 4.47Å; I394-A396 HydrophobicContact CG2-CB 4.45Å
395	V	98	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.7	164.1	-174.8	0	0	0	0	108.3	H77 L88 L95 R372 L380 I389	H77-V395 HydrophobicContact CB-CG2 4.37Å; H77-V395 CarbonylContact O-C 3.57Å; H77-V395 WeakPolarHBondContact O-CA 3.43Å; L88-V395 HydrophobicContact CD1-CG1 3.91Å; L88-V395 HydrophobicContact CD2-CG1 4.36Å; L88-V395 HydrophobicContact CG-CG1 4.2Å; L95-V395 HydrophobicContact CD2-CB 4.37Å; L95-V395 HydrophobicContact CD2-CG2 3.91Å; R372-V395 PolarHBondContact N-O 2.7Å; R372-V395 PolarHBondContact O-N 2.95Å; L380-V395 HydrophobicContact CD2-CG1 4.45Å; I389-V395 HydrophobicContact CG2-CG2 4.24Å
396	A	97.3	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.5	-174.7	0	0	0	0	0	113.6	I76 H77 F78 L79 M369 T370 F371 I394	I76-A396 HydrophobicContact CG2-CB 3.48Å; I76-A396 VanDerWaalsContact CG2-CB 3.48Å; H77-A396 PolarHBondContact O-N 3.07Å; F78-A396 WeakPolarHBondContact CA-O 3.32Å; F78-A396 HydrophobicContact CD1-CB 4.37Å; F78-A396 HydrophobicContact CE1-CB 4.43Å; L79-A396 PolarHBondContact N-O 3.28Å; M369-A396 HydrophobicContact CE-CB 3.74Å; T370-A396 CarbonylContact O-C 3.6Å; T370-A396 WeakPolarHBondContact O-CA 3.46Å; F371-A396 HydrophobicContact CD1-CB 3.93Å; F371-A396 HydrophobicContact CE1-CB 4.19Å; I394-A396 HydrophobicContact CG2-CB 4.45Å
397	L	97.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.4	166.8	-47	-178	0	0	0	109.2	L79 Y85 L88 M369 T370 P399 M443 L447	L79-L397 HydrophobicContact CB-CD2 3.82Å; L79-L397 HydrophobicContact CD2-CD2 4.07Å; L79-L397 HydrophobicContact CG-CD2 4.17Å; Y85-L397 HydrophobicContact CD1-CD1 4.01Å; Y85-L397 HydrophobicContact CD1-CD2 3.62Å; Y85-L397 HydrophobicContact CD1-CG 4.37Å; Y85-L397 HydrophobicContact CD2-CD1 4.02Å; Y85-L397 HydrophobicContact CE1-CD1 4.43Å; Y85-L397 HydrophobicContact CE1-CD2 3.77Å; Y85-L397 HydrophobicContact CE1-CG 4.47Å; Y85-L397 HydrophobicContact CE2-CD1 4.43Å; Y85-L397 HydrophobicContact CG-CD1 3.78Å; Y85-L397 HydrophobicContact CG-CD2 4.26Å; L88-L397 HydrophobicContact CD1-CD2 4.14Å; L88-L397 HydrophobicContact CD2-CD1 4.02Å; L88-L397 HydrophobicContact CD2-CD2 3.87Å; L88-L397 HydrophobicContact CD2-CG 3.73Å; M369-L397 WeakPolarHBondContact CA-O 3.4Å; T370-L397 HydrophobicContact CG2-CD1 4.49Å; T370-L397 PolarHBondContact N-O 3.23Å; T370-L397 PolarHBondContact O-N 3.48Å; L397-P399 HydrophobicContact CB-CG 4.38Å; L397-M443 HydrophobicContact CD1-CE 4.18Å; L397-L447 HydrophobicContact CD1-CD2 3.79Å
398	Y	97.6	Very high	97.7	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.137	C	C	.	.			trans	-123.1	82.1	168.6	-167.8	-117	0	0	0	109.5	L53 L56 A367 M369 Q400 L401	L53-Y398 HydrophobicContact CB-CE1 4.31Å; L53-Y398 HydrophobicContact CD1-CE1 4.19Å; L56-Y398 HydrophobicContact CD1-CD1 3.38Å; L56-Y398 HydrophobicContact CD1-CD2 4.47Å; L56-Y398 HydrophobicContact CD1-CE1 4.11Å; L56-Y398 HydrophobicContact CD1-CG 3.57Å; A367-Y398 HydrophobicContact CB-CE2 4.13Å; A367-Y398 WeakPolarHBondContact O-CE2 3.49Å; M369-Y398 HydrophobicContact CG-CD2 3.53Å; M369-Y398 HydrophobicContact CG-CE2 4.12Å; M369-Y398 HydrophobicContact SD-CD2 4.36Å; Y398-Q400 HydrophobicContact CD1-CB 4.1Å; Y398-Q400 HydrophobicContact CE1-CB 3.78Å; Y398-Q400 PolarHBondContact O-N 2.94Å; Y398-Q400 PolarHBondContact OH-OE1 3.28Å; Y398-Q400 VanDerWaalsContact OH-OE1 3.08Å; Y398-L401 HydrophobicContact CD1-CG 4.19Å; Y398-L401 WeakPolarHBondContact O-CB 3.49Å; Y398-L401 PolarHBondContact O-N 3.06Å; Y398-L401 VanDerWaalsContact O-N 3.08Å
399	P	97.6	Very high	97.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.4	-171.5	-24.7	37.1	0	0	0	115.4	S368 L397 L401 L402 H403 M443	S368-P399 WeakPolarHBondContact O-CD 3.38Å; L397-P399 HydrophobicContact CB-CG 4.38Å; P399-L401 PolarHBondContact O-N 3.48Å; P399-L402 CarbonylContact O-C 3.5Å; P399-L402 WeakPolarHBondContact O-CA 3.31Å; P399-L402 VanDerWaalsContact O-CB 3.27Å; P399-L402 WeakPolarHBondContact O-CB 3.5Å; P399-L402 PolarHBondContact O-N 2.74Å; P399-H403 PolarHBondContact O-N 2.87Å; P399-M443 HydrophobicContact CB-CB 3.77Å; P399-M443 HydrophobicContact CB-CG 4.49Å; P399-M443 HydrophobicContact CB-SD 4.17Å; P399-M443 HydrophobicContact CG-CB 4.03Å; P399-M443 HydrophobicContact CG-CE 4.03Å; P399-M443 HydrophobicContact CG-SD 4.15Å
400	Q	97.9	Very high	97.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-30.2	170.1	-165.4	174.6	58.8	0	0	112	L53 S366 Y398 L402 H403 F404	L53-Q400 HydrophobicContact CD1-CG 4.29Å; S366-Q400 WeakPolarHBondContact O-CB 3.41Å; S366-Q400 WeakPolarHBondContact O-CG 3.32Å; S366-Q400 PolarHBondContact O-NE2 2.79Å; Y398-Q400 HydrophobicContact CD1-CB 4.1Å; Y398-Q400 HydrophobicContact CE1-CB 3.78Å; Y398-Q400 PolarHBondContact O-N 2.94Å; Y398-Q400 PolarHBondContact OH-OE1 3.28Å; Y398-Q400 VanDerWaalsContact OH-OE1 3.08Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.19Å; Q400-H403 PolarHBondContact O-N 3.25Å; Q400-F404 HydrophobicContact CG-CD2 4.22Å; Q400-F404 HydrophobicContact CG-CE1 4.39Å; Q400-F404 HydrophobicContact CG-CE2 4.09Å; Q400-F404 HydrophobicContact CG-CG 4.44Å; Q400-F404 HydrophobicContact CG-CZ 4.17Å; Q400-F404 PolarHBondContact O-N 2.85Å
401	L	97.7	Very high	97.7	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-42.3	170.7	-70.7	167.9	0	0	0	111.9	L53 L56 R57 T80 Y398 P399 D405	L53-L401 HydrophobicContact CD1-CD2 3.74Å; L53-L401 HydrophobicContact CD1-CG 4.25Å; L56-L401 HydrophobicContact CB-CD1 4.09Å; L56-L401 HydrophobicContact CB-CD2 4.38Å; L56-L401 HydrophobicContact CD1-CD1 4.4Å; R57-L401 HydrophobicContact CG-CD2 3.56Å; T80-L401 HydrophobicContact CG2-CD1 3.59Å; Y398-L401 HydrophobicContact CD1-CG 4.19Å; Y398-L401 WeakPolarHBondContact O-CB 3.49Å; Y398-L401 PolarHBondContact O-N 3.06Å; Y398-L401 VanDerWaalsContact O-N 3.08Å; P399-L401 PolarHBondContact O-N 3.48Å; L401-D405 PolarHBondContact O-N 2.91Å
402	L	97.3	Very high	97.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-68.4	-45.4	175.7	162.8	84.3	0	0	0	110.4	P82 Y85 P399 Q400 F404 D405 I408 L438 Y441 M443	P82-L402 HydrophobicContact CB-CD1 3.58Å; P82-L402 HydrophobicContact CG-CD1 4.13Å; Y85-L402 HydrophobicContact CE2-CD2 4.27Å; P399-L402 CarbonylContact O-C 3.5Å; P399-L402 WeakPolarHBondContact O-CA 3.31Å; P399-L402 VanDerWaalsContact O-CB 3.27Å; P399-L402 WeakPolarHBondContact O-CB 3.5Å; P399-L402 PolarHBondContact O-N 2.74Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.19Å; L402-F404 VanDerWaalsContact C-N 3.25Å; L402-F404 PolarHBondContact O-N 3.38Å; L402-D405 WeakPolarHBondContact O-CB 3.35Å; L402-D405 PolarHBondContact O-N 3.33Å; L402-I408 HydrophobicContact CD1-CD1 3.36Å; L402-I408 HydrophobicContact CG-CD1 4.43Å; L402-L438 HydrophobicContact CD1-CD1 4.22Å; L402-Y441 WeakPolarHBondContact CD2-O 3.42Å; L402-M443 HydrophobicContact CD2-CG 4.14Å; L402-M443 HydrophobicContact CD2-SD 3.87Å
403	H	98.5	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-32.4	-177.4	-66.5	162.6	0	0	0	112.2	R363 P399 Q400 Y409 M443	R363-H403 HydrophobicContact CG-CB 3.69Å; R363-H403 PolarHBondContact NH1-O 3.39Å; P399-H403 PolarHBondContact O-N 2.87Å; Q400-H403 PolarHBondContact O-N 3.25Å; H403-Y409 VanDerWaalsContact O-CD2 3.24Å; H403-Y409 WeakPolarHBondContact O-CD2 3.36Å; H403-M443 PolarHBondContact NE2-N 3.46Å; H403-M443 VanDerWaalsContact NE2-N 3.14Å
404	F	98	Very high	97.7	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.066	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17.5	179.6	-66.8	3.1	0	0	0	113.5	L53 R363 L364 Q400 L402 P406 L413	L53-F404 HydrophobicContact CD2-CD2 3.61Å; L53-F404 HydrophobicContact CD2-CE2 3.96Å; R363-F404 WeakPolarHBondContact O-CE1 3.28Å; L364-F404 HydrophobicContact CD2-CE1 4.15Å; L364-F404 WeakPolarHBondContact O-CZ 3.24Å; Q400-F404 HydrophobicContact CG-CD2 4.22Å; Q400-F404 HydrophobicContact CG-CE1 4.39Å; Q400-F404 HydrophobicContact CG-CE2 4.09Å; Q400-F404 HydrophobicContact CG-CG 4.44Å; Q400-F404 HydrophobicContact CG-CZ 4.17Å; Q400-F404 PolarHBondContact O-N 2.85Å; L402-F404 VanDerWaalsContact C-N 3.25Å; L402-F404 PolarHBondContact O-N 3.38Å; F404-P406 WeakPolarHBondContact O-CD 3.45Å; F404-L413 HydrophobicContact CB-CD2 4.48Å; F404-L413 HydrophobicContact CD1-CD2 4.35Å; F404-L413 HydrophobicContact CD2-CD2 3.63Å; F404-L413 HydrophobicContact CE2-CD2 3.87Å; F404-L413 HydrophobicContact CG-CD2 3.92Å; F404-L413 HydrophobicContact CZ-CD2 4.34Å
405	D	97.8	Very high	97.8	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.118	18%	0.183	C	C	.	.			trans	-78.5	114.7	178.1	-168.1	-24.5	0	0	0	110.5	L401 L402 E407 I408 Y409 R433	L401-D405 PolarHBondContact O-N 2.91Å; L402-D405 WeakPolarHBondContact O-CB 3.35Å; L402-D405 PolarHBondContact O-N 3.33Å; D405-E407 PolarHBondContact O-N 2.93Å; D405-E407 WeakPolarHBondContact OD1-CB 3.18Å; D405-E407 PolarHBondContact OD1-N 3.09Å; D405-I408 HydrophobicContact CB-CB 4.29Å; D405-I408 HydrophobicContact CB-CD1 3.85Å; D405-I408 HydrophobicContact CB-CG1 4.06Å; D405-I408 PolarHBondContact O-N 3.27Å; D405-I408 VanDerWaalsContact O-N 3.1Å; D405-Y409 PolarHBondContact O-N 2.9Å; D405-R433 IonicContact OD2-CZ 3.73Å; D405-R433 IonicContact OD2-NE 2.99Å; D405-R433 PolarHBondContact OD2-NE 2.87Å; D405-R433 VanDerWaalsContact OD2-NE 3.13Å; D405-R433 IonicContact OD2-NH2 3.6Å
406	P	97.2	Very high	97.8	Very high	91 Å²	91	34.9 Å²	34.9	59%	0.591	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.9	179.3	28.9	-35.2	0	0	0	113.6	F404 I408 P412	F404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-I408 PolarHBondContact O-N 3.1Å; P406-P412 HydrophobicContact CB-CG 3.99Å
407	E	96.6	Very high	97.9	Very high	102 Å²	102	37.6 Å²	37.6	48%	0.477	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.7	173.2	-65.6	177.2	-174	0	0	112.1	D405 R433 N434	D405-E407 PolarHBondContact O-N 2.93Å; D405-E407 WeakPolarHBondContact OD1-CB 3.18Å; D405-E407 PolarHBondContact OD1-N 3.09Å; E407-R433 HydrophobicContact CB-CG 4Å; E407-R433 WeakPolarHBondContact OE2-CG 3.49Å; E407-R433 IonicContact OE2-CZ 3.79Å; E407-R433 IonicContact OE2-NE 3.68Å; E407-R433 PolarHBondContact OE2-NE 2.71Å; E407-R433 IonicContact OE2-NH2 3.57Å; E407-R433 PolarHBondContact OE2-NH2 3.22Å; E407-N434 PolarHBondContact OE2-ND2 3.43Å
408	I	98	Very high	97.9	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-45.9	-178.5	-58.6	173.8	0	0	0	110.4	L402 D405 P406 F431 R433 L438	L402-I408 HydrophobicContact CD1-CD1 3.36Å; L402-I408 HydrophobicContact CG-CD1 4.43Å; D405-I408 HydrophobicContact CB-CB 4.29Å; D405-I408 HydrophobicContact CB-CD1 3.85Å; D405-I408 HydrophobicContact CB-CG1 4.06Å; D405-I408 PolarHBondContact O-N 3.27Å; D405-I408 VanDerWaalsContact O-N 3.1Å; P406-I408 PolarHBondContact O-N 3.1Å; I408-F431 HydrophobicContact CG2-CB 4.21Å; I408-F431 HydrophobicContact CG2-CD1 4.44Å; I408-R433 HydrophobicContact CD1-CB 4.24Å; I408-R433 HydrophobicContact CD1-CG 4.33Å; I408-R433 HydrophobicContact CG1-CB 3.81Å; I408-R433 HydrophobicContact CG1-CG 3.93Å; I408-L438 HydrophobicContact CB-CD1 4.41Å; I408-L438 HydrophobicContact CD1-CD1 3.51Å; I408-L438 HydrophobicContact CG1-CD1 3.82Å; I408-L438 HydrophobicContact CG2-CD1 3.7Å
409	Y	98.4	Very high	98	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-121.6	104.2	-173.6	-62.4	-69.1	0	0	0	109.9	H403 D405 D411 P412 R419 Y420 F431 Y441	H403-Y409 VanDerWaalsContact O-CD2 3.24Å; H403-Y409 WeakPolarHBondContact O-CD2 3.36Å; D405-Y409 PolarHBondContact O-N 2.9Å; Y409-D411 PolarHBondContact O-N 3.24Å; Y409-P412 WeakPolarHBondContact O-CB 3.42Å; Y409-P412 VanDerWaalsContact O-CD 3.26Å; Y409-P412 WeakPolarHBondContact O-CD 3.29Å; Y409-R419 HydrophobicContact CD1-CG 4.34Å; Y409-Y420 HydrophobicContact CE1-CE1 4.41Å; Y409-Y420 PolarHBondContact OH-OH 2.83Å; Y409-Y420 VanDerWaalsContact OH-OH 3.1Å; Y409-F431 HydrophobicContact CD1-CD1 4.01Å; Y409-F431 AromaticContact CD1-CE1 3.86Å; Y409-F431 HydrophobicContact CD1-CE1 3.86Å; Y409-F431 AromaticContact CE1-CD1 3.52Å; Y409-F431 HydrophobicContact CE1-CD1 3.52Å; Y409-F431 AromaticContact CE1-CE1 3.36Å; Y409-F431 HydrophobicContact CE1-CE1 3.36Å; Y409-F431 HydrophobicContact CE1-CG 4.36Å; Y409-F431 HydrophobicContact CE1-CZ 4.09Å; Y409-Y441 VanDerWaalsContact OH-C 3.25Å; Y409-Y441 PolarHBondContact OH-O 3.13Å
410	A	97.3	Very high	98	Very high	62 Å²	62	42.2 Å²	42.2	51%	0.512	23%	0.229	S	C	.	.	S	Bend	trans	-59.4	131.3	175.1	0	0	0	0	0	111.1	K416 R419	A410-K416 PolarHBondContact O-NZ 3.38Å; A410-R419 PolarHBondContact O-NH1 3.33Å; A410-R419 PolarHBondContact O-NH2 3.04Å
411	D	98	Very high	98	Very high	97 Å²	97	43.2 Å²	43.2	52%	0.519	23%	0.234	S	C	.	.	S	Bend	trans	49.5	68.3	-168.7	-45.5	-61.1	0	0	0	111	Y409 L413 T414 K416 R419	Y409-D411 PolarHBondContact O-N 3.24Å; D411-L413 PolarHBondContact O-N 3.38Å; D411-L413 VanDerWaalsContact O-N 3.14Å; D411-T414 WeakPolarHBondContact O-CB 3.13Å; D411-T414 PolarHBondContact O-N 3.42Å; D411-K416 IonicContact OD2-NZ 3.6Å; D411-K416 PolarHBondContact OD2-NZ 3.19Å; D411-R419 PolarHBondContact O-NH2 3.46Å
412	P	98.1	Very high	98	Very high	22 Å²	22	45.6 Å²	45.6	14%	0.143	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.7	-166.6	26.4	-34.6	0	0	0	113.3	R363 L364 P406 Y409	R363-P412 PolarHBondContact NH1-O 3.02Å; R363-P412 PolarHBondContact NH2-O 2.97Å; L364-P412 WeakPolarHBondContact CD2-O 3.48Å; P406-P412 HydrophobicContact CB-CG 3.99Å; Y409-P412 WeakPolarHBondContact O-CB 3.42Å; Y409-P412 VanDerWaalsContact O-CD 3.26Å; Y409-P412 WeakPolarHBondContact O-CD 3.29Å
413	L	97.6	Very high	97.9	Very high	118 Å²	118	55 Å²	55	62%	0.618	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-4	177.6	-57	-178	0	0	0	112.7	F404 D411	F404-L413 HydrophobicContact CB-CD2 4.48Å; F404-L413 HydrophobicContact CD1-CD2 4.35Å; F404-L413 HydrophobicContact CD2-CD2 3.63Å; F404-L413 HydrophobicContact CE2-CD2 3.87Å; F404-L413 HydrophobicContact CG-CD2 3.92Å; F404-L413 HydrophobicContact CZ-CD2 4.34Å; D411-L413 PolarHBondContact O-N 3.38Å; D411-L413 VanDerWaalsContact O-N 3.14Å
414	T	98.1	Very high	97.8	Very high	74 Å²	74	61.5 Å²	61.5	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	-94.4	131	-178.8	-54.5	0	0	0	0	110	E360 D411 K416 R419	E360-T414 VanDerWaalsContact OE1-O 3.05Å; D411-T414 WeakPolarHBondContact O-CB 3.13Å; D411-T414 PolarHBondContact O-N 3.42Å; T414-K416 HydrophobicContact CG2-CG 4.46Å; T414-K416 PolarHBondContact O-N 3.14Å; T414-R419 PolarHBondContact O-NH2 3.01Å
415	F	98.6	Very high	97.6	Very high	32 Å²	32	62.1 Å²	62.1	14%	0.14	34%	0.335	C	S	.	.			trans	-68.6	121.8	169.5	177.6	-94.7	0	0	0	110.2	Y308 A315 I357 E360 L364	Y308-F415 VanDerWaalsContact CB-CE2 3.46Å; Y308-F415 HydrophobicContact CD1-CB 3.64Å; Y308-F415 HydrophobicContact CD1-CD1 4.35Å; Y308-F415 AromaticContact CD1-CD2 3.85Å; Y308-F415 HydrophobicContact CD1-CD2 3.85Å; Y308-F415 AromaticContact CD1-CG 3.69Å; Y308-F415 HydrophobicContact CD1-CG 3.69Å; Y308-F415 AromaticContact CD2-CD2 3.71Å; Y308-F415 HydrophobicContact CD2-CD2 3.71Å; Y308-F415 HydrophobicContact CD2-CE2 4.12Å; Y308-F415 HydrophobicContact CD2-CG 4.4Å; Y308-F415 HydrophobicContact CE1-CB 3.89Å; Y308-F415 HydrophobicContact CE1-CG 4.38Å; Y308-F415 HydrophobicContact CE2-CD2 4.4Å; Y308-F415 HydrophobicContact CG-CB 4.15Å; Y308-F415 HydrophobicContact CG-CD1 4.36Å; Y308-F415 AromaticContact CG-CD2 3.42Å; Y308-F415 HydrophobicContact CG-CD2 3.42Å; Y308-F415 VanDerWaalsContact CG-CD2 3.42Å; Y308-F415 AromaticContact CG-CE2 3.88Å; Y308-F415 HydrophobicContact CG-CE2 3.88Å; Y308-F415 AromaticContact CG-CG 3.72Å; Y308-F415 HydrophobicContact CG-CG 3.72Å; A315-F415 HydrophobicContact CB-CE1 4.21Å; I357-F415 HydrophobicContact CG1-CZ 4.41Å; I357-F415 HydrophobicContact CG2-CZ 4.26Å; E360-F415 HydrophobicContact CB-CD2 4.11Å; E360-F415 HydrophobicContact CB-CE2 3.84Å; E360-F415 HydrophobicContact CG-CD2 3.38Å; E360-F415 HydrophobicContact CG-CE2 3.63Å; E360-F415 HydrophobicContact CG-CG 4.13Å; L364-F415 HydrophobicContact CD1-CB 3.76Å; L364-F415 HydrophobicContact CD1-CD2 4.11Å; L364-F415 HydrophobicContact CD1-CG 4.45Å
416	K	98.7	Very high	97.4	Very high	58 Å²	58	66.5 Å²	66.5	25%	0.252	36%	0.355	S	S	.	.			trans	-126	105.6	172.8	-64.4	-177.2	-175.2	173.8	0	108.4	E360 A410 D411 T414 D418 R419	E360-K416 WeakPolarHBondContact CG-O 3.25Å; E360-K416 PolarHBondContact OE1-N 3.49Å; A410-K416 PolarHBondContact O-NZ 3.38Å; D411-K416 IonicContact OD2-NZ 3.6Å; D411-K416 PolarHBondContact OD2-NZ 3.19Å; T414-K416 HydrophobicContact CG2-CG 4.46Å; T414-K416 PolarHBondContact O-N 3.14Å; K416-D418 PolarHBondContact O-N 2.81Å; K416-D418 VanDerWaalsContact O-N 3.13Å; K416-R419 HydrophobicContact CB-CB 4.14Å; K416-R419 VanDerWaalsContact O-CB 3.28Å; K416-R419 WeakPolarHBondContact O-CB 3.33Å; K416-R419 PolarHBondContact O-N 2.75Å
417	Y	98.7	Very high	97.4	Very high	56 Å²	56	66.7 Å²	66.7	22%	0.22	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.2	-171.7	84.1	-87.2	0	0	0	113.1	E314 A315 A318 I353 S356	E314-Y417 HydrophobicContact CB-CD1 4.26Å; E314-Y417 HydrophobicContact CB-CE1 3.86Å; A315-Y417 HydrophobicContact CB-CD1 4.26Å; A315-Y417 HydrophobicContact CB-CD2 4.45Å; A315-Y417 HydrophobicContact CB-CG 3.85Å; A318-Y417 HydrophobicContact CB-CD2 4.43Å; A318-Y417 HydrophobicContact CB-CE2 3.7Å; I353-Y417 HydrophobicContact CG2-CD2 4.27Å; I353-Y417 HydrophobicContact CG2-CE2 4.4Å; S356-Y417 CarbonylContact C-O 3.57Å; S356-Y417 WeakPolarHBondContact CB-O 3.17Å; S356-Y417 PolarHBondContact OG-O 3.5Å
418	D	98.5	Very high	97.5	Very high	77 Å²	77	65.7 Å²	65.7	41%	0.412	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.5	-178.1	62.5	-15.6	0	0	0	113.2	K416 Y420 L421	K416-D418 PolarHBondContact O-N 2.81Å; K416-D418 VanDerWaalsContact O-N 3.13Å; D418-Y420 PolarHBondContact O-N 2.56Å; D418-Y420 VanDerWaalsContact O-N 3.08Å; D418-L421 HydrophobicContact CB-CB 4.44Å; D418-L421 HydrophobicContact CB-CD1 3.98Å; D418-L421 HydrophobicContact CB-CG 4.49Å; D418-L421 WeakPolarHBondContact O-CB 3.39Å; D418-L421 PolarHBondContact O-N 3.45Å
419	R	98.6	Very high	97.4	Very high	21 Å²	21	67.6 Å²	67.6	8%	0.079	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.3	-175.6	-168.4	178.5	-63.4	-90	10.5	113.4	E360 Y409 A410 D411 T414 K416	E360-R419 IonicContact OE1-CZ 2.69Å; E360-R419 IonicContact OE1-NE 3.85Å; E360-R419 PolarHBondContact OE1-NE 3.29Å; E360-R419 IonicContact OE1-NH2 3.91Å; E360-R419 PolarHBondContact OE1-NH2 3.27Å; E360-R419 WeakPolarHBondContact OE2-CD 3.47Å; E360-R419 IonicContact OE2-NE 3.87Å; E360-R419 PolarHBondContact OE2-NE 2.86Å; E360-R419 VanDerWaalsContact OE2-NE 3.08Å; Y409-R419 HydrophobicContact CD1-CG 4.34Å; A410-R419 PolarHBondContact O-NH1 3.33Å; A410-R419 PolarHBondContact O-NH2 3.04Å; D411-R419 PolarHBondContact O-NH2 3.46Å; T414-R419 PolarHBondContact O-NH2 3.01Å; K416-R419 HydrophobicContact CB-CB 4.14Å; K416-R419 VanDerWaalsContact O-CB 3.28Å; K416-R419 WeakPolarHBondContact O-CB 3.33Å; K416-R419 PolarHBondContact O-N 2.75Å
420	Y	98.8	Very high	97.3	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.008	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	21.3	178.8	-63.8	-83.7	0	0	0	112.4	S356 K359 E360 R363 Y409 D418 K428 F431 Y441	S356-Y420 WeakPolarHBondContact OG-CB 3.23Å; S356-Y420 PolarHBondContact OG-N 3.4Å; S356-Y420 VanDerWaalsContact OG-N 3.16Å; K359-Y420 HydrophobicContact CB-CD1 4.5Å; K359-Y420 HydrophobicContact CB-CD2 3.5Å; K359-Y420 HydrophobicContact CB-CE2 3.7Å; K359-Y420 HydrophobicContact CB-CG 3.94Å; K359-Y420 HydrophobicContact CD-CD1 4.02Å; K359-Y420 HydrophobicContact CD-CD2 4.3Å; K359-Y420 HydrophobicContact CD-CG 3.84Å; E360-Y420 HydrophobicContact CB-CD2 4.46Å; E360-Y420 HydrophobicContact CB-CE2 4.38Å; R363-Y420 WeakPolarHBondContact CD-OH 3.41Å; Y409-Y420 HydrophobicContact CE1-CE1 4.41Å; Y409-Y420 PolarHBondContact OH-OH 2.83Å; Y409-Y420 VanDerWaalsContact OH-OH 3.1Å; D418-Y420 PolarHBondContact O-N 2.56Å; D418-Y420 VanDerWaalsContact O-N 3.08Å; Y420-K428 PolarHBondContact O-N 3.42Å; Y420-F431 AromaticContact CD1-CE2 3.72Å; Y420-F431 HydrophobicContact CD1-CE2 3.72Å; Y420-F431 AromaticContact CD1-CZ 3.5Å; Y420-F431 HydrophobicContact CD1-CZ 3.5Å; Y420-F431 VanDerWaalsContact CD1-CZ 3.5Å; Y420-F431 HydrophobicContact CE1-CE1 4.41Å; Y420-F431 AromaticContact CE1-CE2 3.76Å; Y420-F431 HydrophobicContact CE1-CE2 3.76Å; Y420-F431 AromaticContact CE1-CZ 3.55Å; Y420-F431 HydrophobicContact CE1-CZ 3.55Å; Y420-F431 HydrophobicContact CG-CZ 4.36Å; Y420-Y441 HydrophobicContact CD1-CE2 4.41Å; Y420-Y441 HydrophobicContact CE1-CD2 4.1Å; Y420-Y441 HydrophobicContact CE1-CE2 4.1Å
421	L	98.6	Very high	97.4	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-110	144.6	171.4	-57	175.8	0	0	0	110.6	P352 I353 D418 E426	P352-L421 HydrophobicContact CB-CD2 4.04Å; I353-L421 HydrophobicContact CD1-CD1 3.32Å; I353-L421 HydrophobicContact CD1-CD2 4.37Å; I353-L421 HydrophobicContact CD1-CG 4.48Å; D418-L421 HydrophobicContact CB-CB 4.44Å; D418-L421 HydrophobicContact CB-CD1 3.98Å; D418-L421 HydrophobicContact CB-CG 4.49Å; D418-L421 WeakPolarHBondContact O-CB 3.39Å; D418-L421 PolarHBondContact O-N 3.45Å; L421-E426 CarbonylContact C-O 3.59Å; L421-E426 VanDerWaalsContact CA-O 3.27Å; L421-E426 WeakPolarHBondContact CA-O 3.48Å
422	D	97.4	Very high	97.4	Very high	65 Å²	65	68.3 Å²	68.3	35%	0.348	34%	0.343	S	S	.	.			trans	-91.1	-176.7	168.9	76.4	8.1	0	0	0	111.5	N424 G425 E426 K428	D422-N424 PolarHBondContact O-N 2.82Å; D422-N424 WeakPolarHBondContact OD1-CA 3.22Å; D422-N424 WeakPolarHBondContact OD1-CB 3.42Å; D422-N424 PolarHBondContact OD1-N 2.72Å; D422-G425 PolarHBondContact O-N 2.94Å; D422-G425 PolarHBondContact OD1-N 2.95Å; D422-E426 PolarHBondContact N-O 3.42Å; D422-E426 PolarHBondContact OD1-N 2.8Å; D422-K428 HydrophobicContact CB-CB 4.32Å
423	E	95.1	Very high	97.3	Very high	202 Å²	202	68.5 Å²	68.5	94%	0.944	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	-178.5	-62.4	178.8	-178.3	0	0	113.5
424	N	95.1	Very high	97.1	Very high	136 Å²	136	68.7 Å²	68.7	73%	0.727	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.9	177.2	-54.5	-57.9	0	0	0	112.5	D422 E426	D422-N424 PolarHBondContact O-N 2.82Å; D422-N424 WeakPolarHBondContact OD1-CA 3.22Å; D422-N424 WeakPolarHBondContact OD1-CB 3.42Å; D422-N424 PolarHBondContact OD1-N 2.72Å; N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 HydrophobicContact CB-CG 4.35Å
425	G	93.6	Very high	96.9	Very high	27 Å²	27	69 Å²	69	28%	0.278	36%	0.359	S	S	.	.	S	Bend	trans	79	13.3	-174	0	0	0	0	0	114	D422	D422-G425 PolarHBondContact O-N 2.94Å; D422-G425 PolarHBondContact OD1-N 2.95Å
426	E	94.8	Very high	96.8	Very high	114 Å²	114	72.6 Å²	72.6	53%	0.533	37%	0.372	S	S	.	.	S	Bend	trans	-92.8	168	177.6	-66.8	-63.5	149.8	0	0	111.5	L421 D422 N424 K428	L421-E426 CarbonylContact C-O 3.59Å; L421-E426 VanDerWaalsContact CA-O 3.27Å; L421-E426 WeakPolarHBondContact CA-O 3.48Å; D422-E426 PolarHBondContact N-O 3.42Å; D422-E426 PolarHBondContact OD1-N 2.8Å; N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 HydrophobicContact CB-CG 4.35Å; E426-K428 PolarHBondContact O-N 2.66Å
427	E	96.9	Very high	96.7	Very high	95 Å²	95	75 Å²	75	44%	0.444	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-61.5	113.3	-179.5	-174.4	-177.3	-149	0	0	112.1	K359 T429	K359-E427 WeakPolarHBondContact CE-OE1 3.34Å; K359-E427 IonicContact NZ-OE1 2.71Å; K359-E427 PolarHBondContact NZ-OE1 3.19Å; E427-T429 HydrophobicContact CG-CG2 3.94Å; E427-T429 PolarHBondContact O-N 2.92Å
428	K	97.9	Very high	96.6	Very high	81 Å²	81	72.6 Å²	72.6	35%	0.352	37%	0.374	S	S	.	.			trans	-76.5	118.3	169.7	178	178.2	176.1	177.5	0	110.7	Y420 D422 E426 D430 F431	Y420-K428 PolarHBondContact O-N 3.42Å; D422-K428 HydrophobicContact CB-CB 4.32Å; E426-K428 PolarHBondContact O-N 2.66Å; K428-D430 WeakPolarHBondContact CE-O 3.45Å; K428-F431 HydrophobicContact CD-CZ 4.32Å; K428-F431 HydrophobicContact CG-CE2 4.32Å; K428-F431 HydrophobicContact CG-CZ 4.31Å; K428-F431 WeakPolarHBondContact O-CE2 3.28Å
429	T	96.9	Very high	96.4	Very high	57 Å²	57	76.3 Å²	76.3	35%	0.35	39%	0.386	S	S	.	.			trans	-113.3	-1.3	177.2	63	0	0	0	0	113.9	E427 F431 Y441	E427-T429 HydrophobicContact CG-CG2 3.94Å; E427-T429 PolarHBondContact O-N 2.92Å; T429-F431 PolarHBondContact O-N 2.98Å; T429-Y441 WeakPolarHBondContact CA-OH 3.31Å; T429-Y441 WeakPolarHBondContact CB-OH 3.41Å; T429-Y441 WeakPolarHBondContact CG2-OH 3.38Å; T429-Y441 WeakPolarHBondContact O-CE1 3.47Å
430	D	96.8	Very high	96.3	Very high	62 Å²	62	76.9 Å²	76.9	33%	0.332	39%	0.388	S	S	.	.			trans	-98.3	96.1	-174.2	-76.7	0.7	0	0	0	111.4	K428 Y432 K437	K428-D430 WeakPolarHBondContact CE-O 3.45Å; D430-Y432 HydrophobicContact CB-CE2 3.86Å; D430-K437 WeakPolarHBondContact OD1-CE 3.41Å; D430-K437 IonicContact OD1-NZ 2.92Å; D430-K437 PolarHBondContact OD1-NZ 2.72Å; D430-K437 IonicContact OD2-NZ 3.67Å
431	F	98.3	Very high	96.2	Very high	7 Å²	7	78.5 Å²	78.5	3%	0.031	40%	0.395	C	S	.	.			trans	-117.4	143.6	173.9	-65.8	-89.8	0	0	0	110.2	I408 Y409 Y420 K428 T429 L438 Y441	I408-F431 HydrophobicContact CG2-CB 4.21Å; I408-F431 HydrophobicContact CG2-CD1 4.44Å; Y409-F431 HydrophobicContact CD1-CD1 4.01Å; Y409-F431 AromaticContact CD1-CE1 3.86Å; Y409-F431 HydrophobicContact CD1-CE1 3.86Å; Y409-F431 AromaticContact CE1-CD1 3.52Å; Y409-F431 HydrophobicContact CE1-CD1 3.52Å; Y409-F431 AromaticContact CE1-CE1 3.36Å; Y409-F431 HydrophobicContact CE1-CE1 3.36Å; Y409-F431 HydrophobicContact CE1-CG 4.36Å; Y409-F431 HydrophobicContact CE1-CZ 4.09Å; Y420-F431 AromaticContact CD1-CE2 3.72Å; Y420-F431 HydrophobicContact CD1-CE2 3.72Å; Y420-F431 AromaticContact CD1-CZ 3.5Å; Y420-F431 HydrophobicContact CD1-CZ 3.5Å; Y420-F431 VanDerWaalsContact CD1-CZ 3.5Å; Y420-F431 HydrophobicContact CE1-CE1 4.41Å; Y420-F431 AromaticContact CE1-CE2 3.76Å; Y420-F431 HydrophobicContact CE1-CE2 3.76Å; Y420-F431 AromaticContact CE1-CZ 3.55Å; Y420-F431 HydrophobicContact CE1-CZ 3.55Å; Y420-F431 HydrophobicContact CG-CZ 4.36Å; K428-F431 HydrophobicContact CD-CZ 4.32Å; K428-F431 HydrophobicContact CG-CE2 4.32Å; K428-F431 HydrophobicContact CG-CZ 4.31Å; K428-F431 WeakPolarHBondContact O-CE2 3.28Å; T429-F431 PolarHBondContact O-N 2.98Å; F431-L438 HydrophobicContact CB-CD1 4.32Å; F431-L438 PolarHBondContact O-N 2.91Å; F431-Y441 HydrophobicContact CB-CD1 4.46Å; F431-Y441 HydrophobicContact CB-CG 4.03Å; F431-Y441 AromaticContact CD2-CD1 3.9Å; F431-Y441 HydrophobicContact CD2-CD1 3.9Å; F431-Y441 AromaticContact CD2-CD2 3.24Å; F431-Y441 HydrophobicContact CD2-CD2 3.24Å; F431-Y441 HydrophobicContact CD2-CE1 4.25Å; F431-Y441 AromaticContact CD2-CE2 3.66Å; F431-Y441 HydrophobicContact CD2-CE2 3.66Å; F431-Y441 AromaticContact CD2-CG 3.4Å; F431-Y441 HydrophobicContact CD2-CG 3.4Å; F431-Y441 AromaticContact CE2-CD2 3.51Å; F431-Y441 HydrophobicContact CE2-CD2 3.51Å; F431-Y441 AromaticContact CE2-CE2 3.6Å; F431-Y441 HydrophobicContact CE2-CE2 3.6Å; F431-Y441 HydrophobicContact CE2-CG 4.16Å; F431-Y441 HydrophobicContact CG-CD2 4.06Å; F431-Y441 AromaticContact CG-CG 3.95Å; F431-Y441 HydrophobicContact CG-CG 3.95Å
432	Y	98	Very high	96.2	Very high	108 Å²	108	79.6 Å²	79.6	42%	0.424	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.1	-171.2	-61	-97.9	0	0	0	110.4	D430 R436 K437	D430-Y432 HydrophobicContact CB-CE2 3.86Å; Y432-R436 WeakPolarHBondContact CA-O 3.32Å; Y432-K437 HydrophobicContact CD1-CB 3.94Å; Y432-K437 HydrophobicContact CE1-CB 3.61Å; Y432-K437 HydrophobicContact CE1-CG 4.22Å
433	R	96.4	Very high	96.2	Very high	25 Å²	25	76.7 Å²	76.7	9%	0.094	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.3	165.8	-166.6	-180	170.2	-150.8	1.8	108	F83 D405 E407 I408 G435 R436 L438	F83-R433 HydrophobicContact CE2-CB 4.01Å; F83-R433 HydrophobicContact CZ-CB 3.94Å; F83-R433 WeakPolarHBondContact CZ-O 3.38Å; D405-R433 IonicContact OD2-CZ 3.73Å; D405-R433 IonicContact OD2-NE 2.99Å; D405-R433 PolarHBondContact OD2-NE 2.87Å; D405-R433 VanDerWaalsContact OD2-NE 3.13Å; D405-R433 IonicContact OD2-NH2 3.6Å; E407-R433 HydrophobicContact CB-CG 4Å; E407-R433 WeakPolarHBondContact OE2-CG 3.49Å; E407-R433 IonicContact OE2-CZ 3.79Å; E407-R433 IonicContact OE2-NE 3.68Å; E407-R433 PolarHBondContact OE2-NE 2.71Å; E407-R433 IonicContact OE2-NH2 3.57Å; E407-R433 PolarHBondContact OE2-NH2 3.22Å; I408-R433 HydrophobicContact CD1-CB 4.24Å; I408-R433 HydrophobicContact CD1-CG 4.33Å; I408-R433 HydrophobicContact CG1-CB 3.81Å; I408-R433 HydrophobicContact CG1-CG 3.93Å; R433-G435 PolarHBondContact O-N 3.21Å; R433-R436 PolarHBondContact N-O 2.77Å; R433-R436 PolarHBondContact O-N 3.38Å; R433-L438 HydrophobicContact CB-CD1 4.43Å; R433-L438 HydrophobicContact CB-CD2 4.25Å; R433-L438 HydrophobicContact CB-CG 4.42Å
434	N	93.1	Very high	96.4	Very high	123 Å²	123	67.6 Å²	67.6	66%	0.658	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	44.2	-177.6	-64.4	-48.2	0	0	0	113.3	E407 R436	E407-N434 PolarHBondContact OE2-ND2 3.43Å; N434-R436 PolarHBondContact O-N 3.36Å
435	G	94.3	Very high	96.5	Very high	79 Å²	79	63 Å²	63	81%	0.814	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	3.9	179.1	0	0	0	0	0	115.4	R433	R433-G435 PolarHBondContact O-N 3.21Å
436	R	95.9	Very high	96.5	Very high	109 Å²	109	62.2 Å²	62.2	41%	0.411	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.8	-177.9	-174.5	-177.5	168.4	-157.5	4.8	111.9	F83 E383 Y432 R433 N434 L438	F83-R436 HydrophobicContact CD1-CG 4.43Å; F83-R436 VanDerWaalsContact CD1-NH1 3.27Å; F83-R436 HydrophobicContact CE1-CB 3.9Å; F83-R436 HydrophobicContact CE1-CG 3.64Å; F83-R436 HydrophobicContact CZ-CB 3.75Å; F83-R436 HydrophobicContact CZ-CG 4.03Å; E383-R436 IonicContact OE1-CZ 3.53Å; E383-R436 IonicContact OE1-NH1 3.85Å; E383-R436 PolarHBondContact OE1-NH1 3.33Å; E383-R436 IonicContact OE1-NH2 3.52Å; E383-R436 PolarHBondContact OE1-NH2 3.14Å; E383-R436 IonicContact OE2-CZ 2.65Å; E383-R436 IonicContact OE2-NH1 3.56Å; E383-R436 PolarHBondContact OE2-NH1 2.69Å; E383-R436 IonicContact OE2-NH2 3.19Å; Y432-R436 WeakPolarHBondContact CA-O 3.32Å; R433-R436 PolarHBondContact N-O 2.77Å; R433-R436 PolarHBondContact O-N 3.38Å; N434-R436 PolarHBondContact O-N 3.36Å; R436-L438 PolarHBondContact O-N 3.17Å
437	K	97.3	Very high	96.4	Very high	107 Å²	107	56.9 Å²	56.9	47%	0.465	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130.9	178.9	-174.1	168	169.5	169.3	0	111.3	D430 Y432	D430-K437 WeakPolarHBondContact OD1-CE 3.41Å; D430-K437 IonicContact OD1-NZ 2.92Å; D430-K437 PolarHBondContact OD1-NZ 2.72Å; D430-K437 IonicContact OD2-NZ 3.67Å; Y432-K437 HydrophobicContact CD1-CB 3.94Å; Y432-K437 HydrophobicContact CE1-CB 3.61Å; Y432-K437 HydrophobicContact CE1-CG 4.22Å
438	L	96.9	Very high	96	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	27%	0.274	C	S	.	.			trans	-82.1	132.8	176.3	-69.4	168.9	0	0	0	110.5	P82 F83 L402 I408 F431 R433 R436	P82-L438 HydrophobicContact CB-CD2 3.99Å; P82-L438 HydrophobicContact CG-CD2 3.94Å; F83-L438 HydrophobicContact CD1-CD2 4.16Å; F83-L438 HydrophobicContact CE1-CD2 3.68Å; F83-L438 HydrophobicContact CE1-CG 4.46Å; F83-L438 HydrophobicContact CE2-CD2 4.31Å; F83-L438 HydrophobicContact CZ-CD2 3.76Å; L402-L438 HydrophobicContact CD1-CD1 4.22Å; I408-L438 HydrophobicContact CB-CD1 4.41Å; I408-L438 HydrophobicContact CD1-CD1 3.51Å; I408-L438 HydrophobicContact CG1-CD1 3.82Å; I408-L438 HydrophobicContact CG2-CD1 3.7Å; F431-L438 HydrophobicContact CB-CD1 4.32Å; F431-L438 PolarHBondContact O-N 2.91Å; R433-L438 HydrophobicContact CB-CD1 4.43Å; R433-L438 HydrophobicContact CB-CD2 4.25Å; R433-L438 HydrophobicContact CB-CG 4.42Å; R436-L438 PolarHBondContact O-N 3.17Å
439	K	94.4	Very high	95.5	Very high	156 Å²	156	54.1 Å²	54.1	68%	0.678	28%	0.279	S	S	*	.	S	Bend	trans	-75	-33.3	168	-174.1	174.8	-177.2	176.8	0	112
440	Y	95.9	Very high	95	Very high	32 Å²	32	52.6 Å²	52.6	13%	0.125	27%	0.273	C	S	.	.			trans	-127.8	108	179.6	-52.3	-65.5	0	0	0	108.6	H86 I89 L447	H86-Y440 HydrophobicContact CB-CE2 3.8Å; I89-Y440 WeakPolarHBondContact CD1-OH 3Å; Y440-L447 HydrophobicContact CD1-CD1 3.43Å; Y440-L447 VanDerWaalsContact CD1-CD1 3.43Å; Y440-L447 HydrophobicContact CD2-CD1 3.95Å; Y440-L447 HydrophobicContact CE1-CD1 3.21Å; Y440-L447 HydrophobicContact CE2-CD1 3.73Å; Y440-L447 HydrophobicContact CG-CD1 3.81Å
441	Y	97.3	Very high	94.8	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.141	28%	0.275	C	S	.	.	S	Bend	trans	-116.4	-30.4	179.3	55.1	-95	0	0	0	111.4	L402 Y409 Y420 T429 F431	L402-Y441 WeakPolarHBondContact CD2-O 3.42Å; Y409-Y441 VanDerWaalsContact OH-C 3.25Å; Y409-Y441 PolarHBondContact OH-O 3.13Å; Y420-Y441 HydrophobicContact CD1-CE2 4.41Å; Y420-Y441 HydrophobicContact CE1-CD2 4.1Å; Y420-Y441 HydrophobicContact CE1-CE2 4.1Å; T429-Y441 WeakPolarHBondContact CA-OH 3.31Å; T429-Y441 WeakPolarHBondContact CB-OH 3.41Å; T429-Y441 WeakPolarHBondContact CG2-OH 3.38Å; T429-Y441 WeakPolarHBondContact O-CE1 3.47Å; F431-Y441 HydrophobicContact CB-CD1 4.46Å; F431-Y441 HydrophobicContact CB-CG 4.03Å; F431-Y441 AromaticContact CD2-CD1 3.9Å; F431-Y441 HydrophobicContact CD2-CD1 3.9Å; F431-Y441 AromaticContact CD2-CD2 3.24Å; F431-Y441 HydrophobicContact CD2-CD2 3.24Å; F431-Y441 HydrophobicContact CD2-CE1 4.25Å; F431-Y441 AromaticContact CD2-CE2 3.66Å; F431-Y441 HydrophobicContact CD2-CE2 3.66Å; F431-Y441 AromaticContact CD2-CG 3.4Å; F431-Y441 HydrophobicContact CD2-CG 3.4Å; F431-Y441 AromaticContact CE2-CD2 3.51Å; F431-Y441 HydrophobicContact CE2-CD2 3.51Å; F431-Y441 AromaticContact CE2-CE2 3.6Å; F431-Y441 HydrophobicContact CE2-CE2 3.6Å; F431-Y441 HydrophobicContact CE2-CG 4.16Å; F431-Y441 HydrophobicContact CG-CD2 4.06Å; F431-Y441 AromaticContact CG-CG 3.95Å; F431-Y441 HydrophobicContact CG-CG 3.95Å
442	Y	97.9	Very high	94.8	Very high	44 Å²	44	55.8 Å²	55.8	17%	0.173	29%	0.289	C	S	.	.			trans	-123	125.7	179.2	177.2	-107.9	0	0	0	109.8	K359 M362 P444 F445	K359-Y442 HydrophobicContact CB-CE2 3.98Å; K359-Y442 HydrophobicContact CG-CE1 4.02Å; K359-Y442 HydrophobicContact CG-CE2 4.15Å; K359-Y442 WeakPolarHBondContact O-CE2 3.14Å; M362-Y442 HydrophobicContact CB-CE2 4.3Å; M362-Y442 PolarHBondContact SD-OH 2.82Å; M362-Y442 VanDerWaalsContact SD-OH 3.39Å; Y442-P444 HydrophobicContact CD1-CG 4.32Å; Y442-P444 HydrophobicContact CD2-CG 4.17Å; Y442-P444 HydrophobicContact CE1-CG 3.64Å; Y442-P444 VanDerWaalsContact CE2-CD 3.41Å; Y442-P444 HydrophobicContact CE2-CG 3.44Å; Y442-P444 VanDerWaalsContact CE2-CG 3.44Å; Y442-P444 VanDerWaalsContact CZ-CD 3.43Å; Y442-P444 WeakPolarHBondContact OH-CG 3.46Å; Y442-F445 HydrophobicContact CE1-CD2 4.33Å; Y442-F445 HydrophobicContact CE1-CE2 4.39Å
443	M	97.8	Very high	94.8	Very high	4 Å²	4	52 Å²	52	2%	0.02	28%	0.278	C	S	.	.			trans	-146.3	26.6	-166.8	-62.7	-173.3	66.5	0	0	116.6	Y85 L397 P399 L402 H403 F445 G446 L447	Y85-M443 HydrophobicContact CD2-CE 3.98Å; Y85-M443 HydrophobicContact CD2-SD 3.48Å; Y85-M443 WeakPolarHBondContact CD2-SD 2.96Å; Y85-M443 HydrophobicContact CE2-CE 4.36Å; Y85-M443 HydrophobicContact CE2-SD 3.65Å; L397-M443 HydrophobicContact CD1-CE 4.18Å; P399-M443 HydrophobicContact CB-CB 3.77Å; P399-M443 HydrophobicContact CB-CG 4.49Å; P399-M443 HydrophobicContact CB-SD 4.17Å; P399-M443 HydrophobicContact CG-CB 4.03Å; P399-M443 HydrophobicContact CG-CE 4.03Å; P399-M443 HydrophobicContact CG-SD 4.15Å; L402-M443 HydrophobicContact CD2-CG 4.14Å; L402-M443 HydrophobicContact CD2-SD 3.87Å; H403-M443 PolarHBondContact NE2-N 3.46Å; H403-M443 VanDerWaalsContact NE2-N 3.14Å; M443-F445 PolarHBondContact O-N 2.87Å; M443-G446 PolarHBondContact O-N 3.35Å; M443-G446 VanDerWaalsContact O-N 3.15Å; M443-L447 HydrophobicContact CE-CB 3.73Å; M443-L447 HydrophobicContact CE-CD1 4.04Å; M443-L447 HydrophobicContact CE-CD2 4.12Å; M443-L447 HydrophobicContact CE-CG 4.16Å
444	P	97.9	Very high	94.9	Very high	11 Å²	11	51.4 Å²	51.4	7%	0.071	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.1	179.1	27.2	-32.8	0	0	0	112.8	M362 S366 S368 Y442 G446 I496	M362-P444 HydrophobicContact CB-CB 4.25Å; M362-P444 HydrophobicContact CB-CG 4.09Å; M362-P444 HydrophobicContact CE-CB 3.85Å; M362-P444 HydrophobicContact CE-CG 4.02Å; M362-P444 HydrophobicContact SD-CG 4.4Å; S366-P444 WeakPolarHBondContact OG-CA 3.39Å; S368-P444 PolarHBondContact OG-O 3.03Å; Y442-P444 HydrophobicContact CD1-CG 4.32Å; Y442-P444 HydrophobicContact CD2-CG 4.17Å; Y442-P444 HydrophobicContact CE1-CG 3.64Å; Y442-P444 VanDerWaalsContact CE2-CD 3.41Å; Y442-P444 HydrophobicContact CE2-CG 3.44Å; Y442-P444 VanDerWaalsContact CE2-CG 3.44Å; Y442-P444 VanDerWaalsContact CZ-CD 3.43Å; Y442-P444 WeakPolarHBondContact OH-CG 3.46Å; P444-G446 VanDerWaalsContact C-N 3.33Å; P444-G446 PolarHBondContact O-N 3.26Å; P444-I496 HydrophobicContact CB-CD1 4.13Å
445	F	97.8	Very high	95.2	Very high	39 Å²	39	48.8 Å²	48.8	17%	0.171	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.1	177.3	-59.9	-71.1	0	0	0	114.2	M362 Y442 M443 K451 C452 R455 A458 V459	M362-F445 HydrophobicContact CE-CE1 3.88Å; M362-F445 HydrophobicContact CE-CE2 3.96Å; M362-F445 HydrophobicContact CE-CZ 3.52Å; M362-F445 HydrophobicContact SD-CE2 4.03Å; M362-F445 HydrophobicContact SD-CZ 3.82Å; Y442-F445 HydrophobicContact CE1-CD2 4.33Å; Y442-F445 HydrophobicContact CE1-CE2 4.39Å; M443-F445 PolarHBondContact O-N 2.87Å; F445-K451 CarbonylContact O-C 3.5Å; F445-K451 WeakPolarHBondContact O-CA 3.43Å; F445-C452 HydrophobicContact CB-CB 4.09Å; F445-C452 HydrophobicContact CD1-CB 3.92Å; F445-C452 HydrophobicContact CG-CB 4.48Å; F445-C452 PolarHBondContact O-N 3.45Å; F445-R455 HydrophobicContact CB-CB 4.1Å; F445-R455 HydrophobicContact CD1-CB 3.57Å; F445-R455 HydrophobicContact CD2-CB 4.13Å; F445-R455 HydrophobicContact CE1-CB 3.92Å; F445-R455 HydrophobicContact CE2-CB 4.45Å; F445-R455 HydrophobicContact CG-CB 3.67Å; F445-R455 HydrophobicContact CZ-CB 4.34Å; F445-A458 HydrophobicContact CE1-CB 4.11Å; F445-A458 HydrophobicContact CZ-CB 4.46Å; F445-V459 HydrophobicContact CE2-CG2 4.22Å; F445-V459 HydrophobicContact CZ-CG2 4.05Å
446	G	94.1	Very high	95.3	Very high	12 Å²	12	47.4 Å²	47.4	12%	0.124	23%	0.234	C	C	.	.			trans	81.6	-159.1	179	0	0	0	0	0	115	M443 P444	M443-G446 PolarHBondContact O-N 3.35Å; M443-G446 VanDerWaalsContact O-N 3.15Å; P444-G446 VanDerWaalsContact C-N 3.33Å; P444-G446 PolarHBondContact O-N 3.26Å
447	L	91.8	Very high	95.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-138.3	139.6	-164.2	-176.8	62.8	0	0	0	113.6	I89 L397 Y440 M443 A450	I89-L447 HydrophobicContact CD1-CD1 4.06Å; I89-L447 HydrophobicContact CD1-CD2 4.41Å; I89-L447 HydrophobicContact CD1-CG 3.95Å; I89-L447 HydrophobicContact CG1-CD2 4.42Å; I89-L447 HydrophobicContact CG1-CG 4.3Å; L397-L447 HydrophobicContact CD1-CD2 3.79Å; Y440-L447 HydrophobicContact CD1-CD1 3.43Å; Y440-L447 VanDerWaalsContact CD1-CD1 3.43Å; Y440-L447 HydrophobicContact CD2-CD1 3.95Å; Y440-L447 HydrophobicContact CE1-CD1 3.21Å; Y440-L447 HydrophobicContact CE2-CD1 3.73Å; Y440-L447 HydrophobicContact CG-CD1 3.81Å; M443-L447 HydrophobicContact CE-CB 3.73Å; M443-L447 HydrophobicContact CE-CD1 4.04Å; M443-L447 HydrophobicContact CE-CD2 4.12Å; M443-L447 HydrophobicContact CE-CG 4.16Å; L447-A450 PolarHBondContact O-N 3.46Å
448	G	90.2	Very high	95.5	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	58.9	-137.1	173.5	0	0	0	0	0	112.8	A450 K451	G448-A450 PolarHBondContact O-N 3.45Å; G448-K451 WeakPolarHBondContact O-CB 3.14Å; G448-K451 WeakPolarHBondContact O-CG 3.47Å; G448-K451 PolarHBondContact O-N 2.92Å
449	I	85.9	Confident	95.6	Very high	91 Å²	91	39 Å²	39	47%	0.467	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-64.9	-23.8	177.6	-164.9	166.2	0	0	0	113.3	W97 H126 K451	W97-I449 HydrophobicContact CD2-CG2 4.13Å; W97-I449 HydrophobicContact CG-CG2 4.14Å; W97-I449 HydrophobicContact CZ2-CD1 4.12Å; W97-I449 HydrophobicContact CZ2-CG1 4.07Å; W97-I449 HydrophobicContact CZ2-CG2 4.35Å; H126-I449 PolarHBondContact CE1-O 3.05Å; H126-I449 WeakPolarHBondContact NE2-CG1 3.1Å; I449-K451 PolarHBondContact O-N 3.28Å
450	A	86.3	Confident	95.8	Very high	26 Å²	26	31.7 Å²	31.7	22%	0.215	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-87.9	16.3	177.7	0	0	0	0	0	112.7	W97 L447 G448	W97-A450 HydrophobicContact CB-CB 4.48Å; W97-A450 HydrophobicContact CD2-CB 4.46Å; W97-A450 HydrophobicContact CE3-CB 4.02Å; L447-A450 PolarHBondContact O-N 3.46Å; G448-A450 PolarHBondContact O-N 3.45Å
451	K	94.4	Very high	96	Very high	86 Å²	86	30.3 Å²	30.3	37%	0.374	17%	0.168	S	C	.	.	S	Bend	trans	-64.4	147.5	170.4	-81.9	-177.8	178.3	-171.4	0	110.1	F445 G448 I449 P453	F445-K451 CarbonylContact O-C 3.5Å; F445-K451 WeakPolarHBondContact O-CA 3.43Å; G448-K451 WeakPolarHBondContact O-CB 3.14Å; G448-K451 WeakPolarHBondContact O-CG 3.47Å; G448-K451 PolarHBondContact O-N 2.92Å; I449-K451 PolarHBondContact O-N 3.28Å; K451-P453 WeakPolarHBondContact O-CD 3.33Å
452	C	97.9	Very high	96.1	Very high	50 Å²	50	28.7 Å²	28.7	34%	0.338	16%	0.161	S	C	.	.			trans	-52.6	123	173.1	178	0	0	0	0	110	F445 G454 R455	F445-C452 HydrophobicContact CB-CB 4.09Å; F445-C452 HydrophobicContact CD1-CB 3.92Å; F445-C452 HydrophobicContact CG-CB 4.48Å; F445-C452 PolarHBondContact O-N 3.45Å; C452-G454 VanDerWaalsContact C-N 3.31Å; C452-G454 PolarHBondContact SG-N 3.47Å; C452-R455 HydrophobicContact CB-CB 4.25Å; C452-R455 WeakPolarHBondContact O-CB 3.46Å; C452-R455 WeakPolarHBondContact O-CG 3.32Å; C452-R455 PolarHBondContact O-N 2.98Å; C452-R455 PolarHBondContact O-NH1 3.35Å
453	P	97.8	Very high	96.1	Very high	29 Å²	29	26.7 Å²	26.7	19%	0.188	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.5	179.7	26.3	-32.9	0	0	0	111.9	F129 L133 Q134 K451 R455	F129-P453 HydrophobicContact CB-CB 3.68Å; F129-P453 HydrophobicContact CB-CG 3.65Å; F129-P453 HydrophobicContact CD2-CG 4.32Å; F129-P453 HydrophobicContact CG-CG 4.15Å; L133-P453 HydrophobicContact CD1-CB 4.31Å; L133-P453 HydrophobicContact CD1-CG 4.29Å; Q134-P453 PolarHBondContact NE2-O 3.45Å; Q134-P453 VanDerWaalsContact NE2-O 3.13Å; K451-P453 WeakPolarHBondContact O-CD 3.33Å; P453-R455 VanDerWaalsContact C-N 3.33Å; P453-R455 PolarHBondContact O-N 3.19Å
454	G	98.3	Very high	96.2	Very high	12 Å²	12	26.5 Å²	26.5	12%	0.124	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	8.6	178.4	0	0	0	0	0	115.4	C452 L456 F457 A458	C452-G454 VanDerWaalsContact C-N 3.31Å; C452-G454 PolarHBondContact SG-N 3.47Å; G454-L456 PolarHBondContact O-N 3.41Å; G454-L456 VanDerWaalsContact O-N 3.12Å; G454-F457 PolarHBondContact O-N 3.09Å; G454-A458 WeakPolarHBondContact O-CB 3.48Å; G454-A458 PolarHBondContact O-N 3.3Å
455	R	98.3	Very high	96.2	Very high	68 Å²	68	26 Å²	26	26%	0.257	15%	0.149	S	C	.	.	H	α-helix	trans	-56	-31	-175.4	71.4	-169.3	175.5	-71.9	-8.2	114.7	Q134 F445 C452 P453 V459	Q134-R455 VanDerWaalsContact NE2-NH1 3.12Å; F445-R455 HydrophobicContact CB-CB 4.1Å; F445-R455 HydrophobicContact CD1-CB 3.57Å; F445-R455 HydrophobicContact CD2-CB 4.13Å; F445-R455 HydrophobicContact CE1-CB 3.92Å; F445-R455 HydrophobicContact CE2-CB 4.45Å; F445-R455 HydrophobicContact CG-CB 3.67Å; F445-R455 HydrophobicContact CZ-CB 4.34Å; C452-R455 HydrophobicContact CB-CB 4.25Å; C452-R455 WeakPolarHBondContact O-CB 3.46Å; C452-R455 WeakPolarHBondContact O-CG 3.32Å; C452-R455 PolarHBondContact O-N 2.98Å; C452-R455 PolarHBondContact O-NH1 3.35Å; P453-R455 VanDerWaalsContact C-N 3.33Å; P453-R455 PolarHBondContact O-N 3.19Å; R455-V459 WeakPolarHBondContact O-CG2 3.13Å; R455-V459 PolarHBondContact O-N 2.92Å
456	L	98.2	Very high	96.3	Very high	49 Å²	49	24.1 Å²	24.1	26%	0.257	14%	0.141	S	C	.	.	H	α-helix	trans	-72.5	-55.7	179.2	-60.1	179.4	0	0	0	108.9	Q134 L138 G454 A458 V459 H460	Q134-L456 HydrophobicContact CG-CD1 4.47Å; L138-L456 HydrophobicContact CD2-CB 3.68Å; L138-L456 HydrophobicContact CD2-CD1 4.02Å; G454-L456 PolarHBondContact O-N 3.41Å; G454-L456 VanDerWaalsContact O-N 3.12Å; L456-A458 PolarHBondContact O-N 3.4Å; L456-V459 PolarHBondContact O-N 3.49Å; L456-H460 PolarHBondContact O-N 2.96Å; L456-H460 PolarHBondContact O-ND1 2.67Å
457	F	98.8	Very high	96.5	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-52.3	-42.7	174.1	-176	-114.2	0	0	0	112.6	L138 L141 M145 T186 G454 V459 H460 E461	L138-F457 HydrophobicContact CD1-CB 3.6Å; L138-F457 HydrophobicContact CD1-CD2 4.1Å; L138-F457 HydrophobicContact CD1-CG 4.3Å; L141-F457 HydrophobicContact CB-CD2 3.9Å; L141-F457 HydrophobicContact CB-CE2 3.83Å; L141-F457 WeakPolarHBondContact O-CE2 3.48Å; M145-F457 HydrophobicContact CB-CE2 3.86Å; M145-F457 HydrophobicContact CB-CZ 3.94Å; M145-F457 HydrophobicContact CG-CE2 4.29Å; M145-F457 HydrophobicContact CG-CZ 4.06Å; T186-F457 HydrophobicContact CG2-CE2 4.46Å; T186-F457 HydrophobicContact CG2-CZ 3.92Å; G454-F457 PolarHBondContact O-N 3.09Å; F457-V459 VanDerWaalsContact C-N 3.35Å; F457-V459 PolarHBondContact O-N 3.22Å; F457-H460 PolarHBondContact O-N 3.42Å; F457-H460 VanDerWaalsContact O-N 3.16Å; F457-E461 HydrophobicContact CZ-CB 4.43Å; F457-E461 WeakPolarHBondContact O-CG 3.44Å; F457-E461 PolarHBondContact O-N 2.94Å
458	A	98.8	Very high	96.8	Very high	12 Å²	12	23.6 Å²	23.6	10%	0.099	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-40.1	178.2	0	0	0	0	0	113.3	F445 G454 L456 E461 I462	F445-A458 HydrophobicContact CE1-CB 4.11Å; F445-A458 HydrophobicContact CZ-CB 4.46Å; G454-A458 WeakPolarHBondContact O-CB 3.48Å; G454-A458 PolarHBondContact O-N 3.3Å; L456-A458 PolarHBondContact O-N 3.4Å; A458-E461 WeakPolarHBondContact CA-OE1 3.08Å; A458-E461 WeakPolarHBondContact O-CG 3.32Å; A458-I462 VanDerWaalsContact O-CD1 3.3Å; A458-I462 WeakPolarHBondContact O-CD1 3.36Å; A458-I462 WeakPolarHBondContact O-CG1 3.4Å; A458-I462 PolarHBondContact O-N 3.5Å
459	V	98.8	Very high	97.2	Very high	24 Å²	24	22.3 Å²	22.3	15%	0.145	12%	0.122	C	C	.	.	H	α-helix	trans	-72.5	-40.5	175.4	173.7	0	0	0	0	110.3	D355 I358 F445 R455 L456 F457 I462 K463	D355-V459 WeakPolarHBondContact OD1-CG1 3.27Å; I358-V459 HydrophobicContact CD1-CG1 4.45Å; F445-V459 HydrophobicContact CE2-CG2 4.22Å; F445-V459 HydrophobicContact CZ-CG2 4.05Å; R455-V459 WeakPolarHBondContact O-CG2 3.13Å; R455-V459 PolarHBondContact O-N 2.92Å; L456-V459 PolarHBondContact O-N 3.49Å; F457-V459 VanDerWaalsContact C-N 3.35Å; F457-V459 PolarHBondContact O-N 3.22Å; V459-I462 PolarHBondContact O-N 3.09Å; V459-K463 HydrophobicContact CG1-CD 4.17Å; V459-K463 HydrophobicContact CG1-CG 4.4Å; V459-K463 WeakPolarHBondContact O-CB 3.01Å; V459-K463 WeakPolarHBondContact O-CG 3.46Å; V459-K463 PolarHBondContact O-N 2.91Å
460	H	98.9	Very high	97.7	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-47.3	178.1	-64.5	134.9	0	0	0	112.2	I142 L348 D349 L456 F457 I462 K463 Q464	I142-H460 HydrophobicContact CD1-CB 4.35Å; I142-H460 WeakPolarHBondContact CD1-ND1 3.49Å; I142-H460 HydrophobicContact CG1-CB 4.07Å; L348-H460 HydrophobicContact CD1-CB 4.22Å; D349-H460 IonicContact OD1-CD2 2.77Å; D349-H460 IonicContact OD1-CE1 2.68Å; D349-H460 IonicContact OD1-NE2 3.08Å; D349-H460 PolarHBondContact OD1-NE2 3.32Å; L456-H460 PolarHBondContact O-N 2.96Å; L456-H460 PolarHBondContact O-ND1 2.67Å; F457-H460 PolarHBondContact O-N 3.42Å; F457-H460 VanDerWaalsContact O-N 3.16Å; H460-I462 VanDerWaalsContact C-N 3.32Å; H460-I462 PolarHBondContact O-N 3.4Å; H460-K463 PolarHBondContact O-N 3.29Å; H460-Q464 WeakPolarHBondContact O-CB 3.35Å; H460-Q464 WeakPolarHBondContact O-CG 3.27Å; H460-Q464 PolarHBondContact O-N 2.82Å
461	E	98.8	Very high	98.2	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.019	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-34.7	-179.8	69.4	-177.9	149.4	0	0	112.6	M145 M179 T298 F457 A458 F465	M145-E461 HydrophobicContact CE-CB 3.79Å; M145-E461 WeakPolarHBondContact CE-OE2 3.41Å; M145-E461 HydrophobicContact CG-CB 3.74Å; M145-E461 HydrophobicContact SD-CB 4.48Å; M179-E461 HydrophobicContact CE-CB 4.16Å; M179-E461 HydrophobicContact CE-CG 3.87Å; T298-E461 HydrophobicContact CG2-CG 3.92Å; T298-E461 WeakPolarHBondContact CG2-OE1 3.36Å; T298-E461 PolarHBondContact OG1-OE1 2.85Å; F457-E461 HydrophobicContact CZ-CB 4.43Å; F457-E461 WeakPolarHBondContact O-CG 3.44Å; F457-E461 PolarHBondContact O-N 2.94Å; A458-E461 WeakPolarHBondContact CA-OE1 3.08Å; A458-E461 WeakPolarHBondContact O-CG 3.32Å; E461-F465 WeakPolarHBondContact O-CB 3.34Å; E461-F465 PolarHBondContact O-N 2.85Å
462	I	98.9	Very high	98.2	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-69.5	-43.4	174.1	-62.1	167.5	0	0	0	110.3	A301 I358 A458 V459 H460 Q464 F465 L466	A301-I462 HydrophobicContact CB-CD1 3.73Å; I358-I462 HydrophobicContact CD1-CB 4.03Å; I358-I462 HydrophobicContact CD1-CG2 3.62Å; I358-I462 HydrophobicContact CG1-CG2 3.73Å; I358-I462 HydrophobicContact CG2-CD1 4.36Å; A458-I462 VanDerWaalsContact O-CD1 3.3Å; A458-I462 WeakPolarHBondContact O-CD1 3.36Å; A458-I462 WeakPolarHBondContact O-CG1 3.4Å; A458-I462 PolarHBondContact O-N 3.5Å; V459-I462 PolarHBondContact O-N 3.09Å; H460-I462 VanDerWaalsContact C-N 3.32Å; H460-I462 PolarHBondContact O-N 3.4Å; I462-Q464 PolarHBondContact O-N 3.38Å; I462-F465 PolarHBondContact O-N 3.45Å; I462-L466 HydrophobicContact CG2-CD1 4.07Å; I462-L466 HydrophobicContact CG2-CG 4.34Å; I462-L466 WeakPolarHBondContact O-CG 3.46Å; I462-L466 PolarHBondContact O-N 2.62Å
463	K	98.9	Very high	98.1	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-60.3	-43.9	175.2	-79.6	-178	167.5	177.7	0	112.1	L348 M351 L354 D355 I358 V459 H460 L466 T467	L348-K463 HydrophobicContact CD2-CB 4.33Å; L348-K463 WeakPolarHBondContact O-CD 3.5Å; L348-K463 PolarHBondContact O-NZ 3.35Å; M351-K463 HydrophobicContact CB-CD 4.26Å; M351-K463 PolarHBondContact O-NZ 3.46Å; M351-K463 HydrophobicContact SD-CB 4.45Å; M351-K463 HydrophobicContact SD-CD 4.22Å; L354-K463 HydrophobicContact CB-CG 4.17Å; L354-K463 HydrophobicContact CD1-CG 4.43Å; D355-K463 WeakPolarHBondContact OD1-CE 3.28Å; D355-K463 IonicContact OD1-NZ 2.72Å; D355-K463 PolarHBondContact OD1-NZ 2.84Å; D355-K463 IonicContact OD2-NZ 2.92Å; D355-K463 PolarHBondContact OD2-NZ 3.1Å; I358-K463 HydrophobicContact CD1-CG 3.68Å; V459-K463 HydrophobicContact CG1-CD 4.17Å; V459-K463 HydrophobicContact CG1-CG 4.4Å; V459-K463 WeakPolarHBondContact O-CB 3.01Å; V459-K463 WeakPolarHBondContact O-CG 3.46Å; V459-K463 PolarHBondContact O-N 2.91Å; H460-K463 PolarHBondContact O-N 3.29Å; K463-L466 PolarHBondContact O-N 2.98Å; K463-T467 VanDerWaalsContact O-CB 3.23Å; K463-T467 WeakPolarHBondContact O-CB 3.48Å; K463-T467 PolarHBondContact O-N 3.48Å; K463-T467 PolarHBondContact O-OG1 3.21Å
464	Q	98.9	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-47.3	176.1	-69.6	173.9	-27.3	0	0	110.9	I142 M145 M146 L149 L348 H460 I462 L466 T467 L468	I142-Q464 VanDerWaalsContact CG2-NE2 3.28Å; I142-Q464 PolarHBondContact O-NE2 3.41Å; M145-Q464 VanDerWaalsContact CG-OE1 3.28Å; M146-Q464 HydrophobicContact CE-CB 3.95Å; M146-Q464 HydrophobicContact CE-CG 3.62Å; M146-Q464 HydrophobicContact SD-CB 4.22Å; M146-Q464 HydrophobicContact SD-CG 4.29Å; L149-Q464 HydrophobicContact CD1-CB 3.6Å; L348-Q464 HydrophobicContact CD1-CG 4.04Å; L348-Q464 HydrophobicContact CD2-CG 4.05Å; H460-Q464 WeakPolarHBondContact O-CB 3.35Å; H460-Q464 WeakPolarHBondContact O-CG 3.27Å; H460-Q464 PolarHBondContact O-N 2.82Å; I462-Q464 PolarHBondContact O-N 3.38Å; Q464-L466 PolarHBondContact O-N 3.21Å; Q464-T467 WeakPolarHBondContact O-CB 3.38Å; Q464-T467 PolarHBondContact O-N 2.71Å; Q464-L468 VanDerWaalsContact O-CG 3.27Å; Q464-L468 WeakPolarHBondContact O-CG 3.29Å; Q464-L468 PolarHBondContact O-N 2.8Å
465	F	98.9	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.1	-50.1	175.4	171.4	-88.6	0	0	0	112	L149 M153 F174 V178 M179 T302 L306 E461 I462 T467 L468 I469	L149-F465 HydrophobicContact CD1-CB 4.35Å; L149-F465 HydrophobicContact CD2-CB 4.34Å; L149-F465 HydrophobicContact CD2-CD2 4.22Å; M153-F465 HydrophobicContact SD-CD2 4.28Å; F174-F465 HydrophobicContact CD1-CE2 4.46Å; F174-F465 HydrophobicContact CD1-CZ 4.19Å; F174-F465 AromaticContact CE1-CE2 3.78Å; F174-F465 HydrophobicContact CE1-CE2 3.78Å; F174-F465 AromaticContact CE1-CZ 3.68Å; F174-F465 HydrophobicContact CE1-CZ 3.68Å; V178-F465 HydrophobicContact CB-CE2 4.13Å; V178-F465 HydrophobicContact CG1-CD2 3.83Å; V178-F465 HydrophobicContact CG1-CE2 3.81Å; M179-F465 HydrophobicContact SD-CB 3.86Å; M179-F465 HydrophobicContact SD-CD2 3.63Å; M179-F465 HydrophobicContact SD-CE2 4.37Å; M179-F465 HydrophobicContact SD-CG 3.85Å; T302-F465 HydrophobicContact CG2-CD1 3.28Å; T302-F465 HydrophobicContact CG2-CD2 4.17Å; T302-F465 HydrophobicContact CG2-CE1 3.28Å; T302-F465 HydrophobicContact CG2-CE2 4.17Å; T302-F465 HydrophobicContact CG2-CG 3.74Å; T302-F465 HydrophobicContact CG2-CZ 3.74Å; L306-F465 HydrophobicContact CB-CE1 4.27Å; L306-F465 HydrophobicContact CD2-CE1 3.71Å; L306-F465 HydrophobicContact CD2-CZ 3.8Å; L306-F465 HydrophobicContact CG-CE1 4.45Å; E461-F465 WeakPolarHBondContact O-CB 3.34Å; E461-F465 PolarHBondContact O-N 2.85Å; I462-F465 PolarHBondContact O-N 3.45Å; F465-T467 PolarHBondContact O-N 3.22Å; F465-L468 PolarHBondContact O-N 3.4Å; F465-I469 HydrophobicContact CD1-CG1 4.19Å; F465-I469 HydrophobicContact CE1-CG1 3.82Å; F465-I469 HydrophobicContact CE2-CD1 4.46Å; F465-I469 HydrophobicContact CE2-CG1 4.29Å; F465-I469 HydrophobicContact CZ-CD1 4.16Å; F465-I469 HydrophobicContact CZ-CG1 3.89Å; F465-I469 VanDerWaalsContact O-CG1 3.32Å; F465-I469 WeakPolarHBondContact O-CG1 3.44Å; F465-I469 PolarHBondContact O-N 2.83Å
466	L	98.9	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-39.7	179.8	-66.6	177	0	0	0	112	L306 L309 L354 I358 I462 K463 Q464 L468 I469 L470	L306-L466 HydrophobicContact CB-CD2 4.13Å; L306-L466 HydrophobicContact CD1-CD2 4.13Å; L309-L466 HydrophobicContact CD2-CD2 4.04Å; L354-L466 HydrophobicContact CD1-CB 4.47Å; L354-L466 HydrophobicContact CD2-CB 4.29Å; L354-L466 HydrophobicContact CD2-CD1 4.08Å; I358-L466 HydrophobicContact CD1-CD1 4.36Å; I358-L466 HydrophobicContact CG1-CD1 4.18Å; I462-L466 HydrophobicContact CG2-CD1 4.07Å; I462-L466 HydrophobicContact CG2-CG 4.34Å; I462-L466 WeakPolarHBondContact O-CG 3.46Å; I462-L466 PolarHBondContact O-N 2.62Å; K463-L466 PolarHBondContact O-N 2.98Å; Q464-L466 PolarHBondContact O-N 3.21Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-L468 PolarHBondContact O-N 2.71Å; L466-I469 PolarHBondContact O-N 2.65Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.71Å
467	T	98.8	Very high	97.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.7	-48.5	174.3	-65.4	0	0	0	0	110.7	V323 L343 K463 Q464 F465 L470 S471	V323-T467 HydrophobicContact CG1-CG2 3.92Å; L343-T467 HydrophobicContact CD1-CG2 4.05Å; K463-T467 VanDerWaalsContact O-CB 3.23Å; K463-T467 WeakPolarHBondContact O-CB 3.48Å; K463-T467 PolarHBondContact O-N 3.48Å; K463-T467 PolarHBondContact O-OG1 3.21Å; Q464-T467 WeakPolarHBondContact O-CB 3.38Å; Q464-T467 PolarHBondContact O-N 2.71Å; F465-T467 PolarHBondContact O-N 3.22Å; T467-L470 PolarHBondContact O-N 2.86Å; T467-S471 VanDerWaalsContact O-CB 3.23Å; T467-S471 WeakPolarHBondContact O-CB 3.49Å; T467-S471 PolarHBondContact O-N 2.78Å; T467-S471 PolarHBondContact O-OG 2.66Å
468	L	98.1	Very high	97.7	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-67.4	-39.2	179.2	-66.5	172.7	0	0	0	112.3	M146 L149 Q150 M153 I341 Q464 F465 L466 S471 Y472	M146-L468 HydrophobicContact SD-CD1 3.98Å; M146-L468 HydrophobicContact SD-CD2 4.11Å; M146-L468 HydrophobicContact SD-CG 4.15Å; L149-L468 HydrophobicContact CB-CD1 3.45Å; L149-L468 VanDerWaalsContact CB-CD1 3.45Å; L149-L468 HydrophobicContact CD1-CD1 4.26Å; L149-L468 HydrophobicContact CG-CD1 4.43Å; Q150-L468 HydrophobicContact CG-CD1 3.81Å; Q150-L468 HydrophobicContact CG-CD2 3.53Å; Q150-L468 HydrophobicContact CG-CG 4.34Å; M153-L468 HydrophobicContact CE-CB 3.88Å; M153-L468 HydrophobicContact SD-CB 3.99Å; M153-L468 HydrophobicContact SD-CD1 3.98Å; I341-L468 HydrophobicContact CD1-CD2 4.31Å; Q464-L468 VanDerWaalsContact O-CG 3.27Å; Q464-L468 WeakPolarHBondContact O-CG 3.29Å; Q464-L468 PolarHBondContact O-N 2.8Å; F465-L468 PolarHBondContact O-N 3.4Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-L468 PolarHBondContact O-N 2.71Å; L468-S471 PolarHBondContact O-N 2.92Å; L468-Y472 HydrophobicContact CB-CD2 4.41Å; L468-Y472 HydrophobicContact CD2-CD2 3.98Å; L468-Y472 HydrophobicContact CD2-CE2 3.63Å; L468-Y472 WeakPolarHBondContact O-CB 3.36Å; L468-Y472 WeakPolarHBondContact O-CD2 3.4Å; L468-Y472 PolarHBondContact O-N 3.12Å
469	I	97.9	Very high	97.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-52	173.4	-72.6	-67	0	0	0	110.6	M153 F174 L306 F465 L466 S471 F473 I475	M153-I469 HydrophobicContact CE-CD1 3.48Å; M153-I469 VanDerWaalsContact CE-CD1 3.48Å; M153-I469 HydrophobicContact CE-CG1 3.78Å; F174-I469 HydrophobicContact CE1-CD1 3.81Å; F174-I469 HydrophobicContact CZ-CD1 3.88Å; L306-I469 HydrophobicContact CD1-CG2 3.95Å; F465-I469 HydrophobicContact CD1-CG1 4.19Å; F465-I469 HydrophobicContact CE1-CG1 3.82Å; F465-I469 HydrophobicContact CE2-CD1 4.46Å; F465-I469 HydrophobicContact CE2-CG1 4.29Å; F465-I469 HydrophobicContact CZ-CD1 4.16Å; F465-I469 HydrophobicContact CZ-CG1 3.89Å; F465-I469 VanDerWaalsContact O-CG1 3.32Å; F465-I469 WeakPolarHBondContact O-CG1 3.44Å; F465-I469 PolarHBondContact O-N 2.83Å; L466-I469 PolarHBondContact O-N 2.65Å; I469-S471 VanDerWaalsContact C-N 3.29Å; I469-S471 PolarHBondContact O-N 2.76Å; I469-F473 HydrophobicContact CD1-CD2 4.26Å; I469-F473 WeakPolarHBondContact O-CB 3.47Å; I469-F473 PolarHBondContact O-N 3.11Å; I469-I475 HydrophobicContact CG2-CD1 3.49Å; I469-I475 VanDerWaalsContact CG2-CD1 3.49Å; I469-I475 HydrophobicContact CG2-CG2 4.17Å
470	L	98.1	Very high	97.2	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-28.9	-179.1	-69.1	168.5	0	0	0	112.7	L309 M316 A319 V323 L354 L466 T467 K510	L309-L470 HydrophobicContact CD2-CD1 4.34Å; L309-L470 HydrophobicContact CD2-CD2 4.26Å; L309-L470 HydrophobicContact CD2-CG 4.44Å; M316-L470 HydrophobicContact SD-CD2 3.51Å; M316-L470 VanDerWaalsContact SD-CD2 3.51Å; A319-L470 HydrophobicContact CB-CD1 3.83Å; V323-L470 HydrophobicContact CG1-CB 4.47Å; V323-L470 HydrophobicContact CG2-CD1 3.84Å; L354-L470 HydrophobicContact CD2-CD1 4.47Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 2.71Å; T467-L470 PolarHBondContact O-N 2.86Å; L470-K510 PolarHBondContact O-NZ 2.7Å
471	S	96.1	Very high	97	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-80	-44	-179.4	-59.3	0	0	0	0	112.6	L327 T467 L468 I469	L327-S471 WeakPolarHBondContact CD1-OG 3.49Å; T467-S471 VanDerWaalsContact O-CB 3.23Å; T467-S471 WeakPolarHBondContact O-CB 3.49Å; T467-S471 PolarHBondContact O-N 2.78Å; T467-S471 PolarHBondContact O-OG 2.66Å; L468-S471 PolarHBondContact O-N 2.92Å; I469-S471 VanDerWaalsContact C-N 3.29Å; I469-S471 PolarHBondContact O-N 2.76Å
472	Y	94.8	Very high	96.8	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-103.8	-20.6	-168.1	-71.7	-77.2	0	0	0	114.6	L154 I334 L336 I341 L468 L509 K510 L512	L154-Y472 HydrophobicContact CD1-CD1 4Å; L154-Y472 HydrophobicContact CD1-CD2 4Å; L154-Y472 HydrophobicContact CD1-CE1 3.77Å; L154-Y472 HydrophobicContact CD1-CE2 3.76Å; L154-Y472 HydrophobicContact CD1-CG 4.12Å; L154-Y472 HydrophobicContact CD2-CD1 3.96Å; L154-Y472 HydrophobicContact CD2-CD2 4.26Å; L154-Y472 HydrophobicContact CD2-CG 3.8Å; I334-Y472 HydrophobicContact CG2-CD1 4.12Å; I334-Y472 HydrophobicContact CG2-CE1 3.79Å; L336-Y472 HydrophobicContact CD2-CD1 4.39Å; I341-Y472 HydrophobicContact CD1-CE2 3.65Å; I341-Y472 HydrophobicContact CG1-CE2 4.48Å; L468-Y472 HydrophobicContact CB-CD2 4.41Å; L468-Y472 HydrophobicContact CD2-CD2 3.98Å; L468-Y472 HydrophobicContact CD2-CE2 3.63Å; L468-Y472 WeakPolarHBondContact O-CB 3.36Å; L468-Y472 WeakPolarHBondContact O-CD2 3.4Å; L468-Y472 PolarHBondContact O-N 3.12Å; Y472-L509 CarbonylContact O-C 3.6Å; Y472-L509 WeakPolarHBondContact O-CA 3.45Å; Y472-K510 PolarHBondContact O-N 3.21Å; Y472-L512 HydrophobicContact CD1-CD1 3.46Å; Y472-L512 VanDerWaalsContact CD1-CD1 3.46Å; Y472-L512 HydrophobicContact CE1-CD1 3.94Å; Y472-L512 HydrophobicContact CG-CD1 4.47Å
473	F	95.2	Very high	96.6	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.6	-167.8	-60.4	-88.2	0	0	0	113.4	M153 L154 L161 I469 I475 Y507 R508 L509 K510	M153-F473 HydrophobicContact CB-CE2 4.49Å; M153-F473 HydrophobicContact CE-CD2 4.3Å; M153-F473 HydrophobicContact CE-CE2 3.78Å; L154-F473 HydrophobicContact CD2-CE2 4.05Å; L154-F473 HydrophobicContact CD2-CZ 3.91Å; L161-F473 HydrophobicContact CD2-CE1 4.42Å; I469-F473 HydrophobicContact CD1-CD2 4.26Å; I469-F473 WeakPolarHBondContact O-CB 3.47Å; I469-F473 PolarHBondContact O-N 3.11Å; F473-I475 HydrophobicContact CB-CG2 3.82Å; F473-Y507 AromaticContact CD1-CD2 3.73Å; F473-Y507 HydrophobicContact CD1-CD2 3.73Å; F473-Y507 AromaticContact CE1-CD2 3.85Å; F473-Y507 HydrophobicContact CE1-CD2 3.85Å; F473-Y507 HydrophobicContact CE1-CE2 4.22Å; F473-R508 CarbonylContact C-O 3.6Å; F473-R508 VanDerWaalsContact CA-O 3.23Å; F473-R508 WeakPolarHBondContact CA-O 3.5Å; F473-L509 HydrophobicContact CD1-CD2 4.11Å; F473-L509 HydrophobicContact CE1-CD2 3.63Å; F473-L509 HydrophobicContact CE1-CG 4.31Å; F473-L509 HydrophobicContact CZ-CD2 3.9Å; F473-K510 WeakPolarHBondContact O-CE 3.25Å
474	E	95.4	Very high	96.4	Very high	62 Å²	62	39 Å²	39	29%	0.29	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.9	153.2	-60.8	-176.7	-178.5	0	0	107.9	W166 Y507 R508 K510	W166-E474 HydrophobicContact CH2-CB 3.75Å; W166-E474 HydrophobicContact CZ2-CB 4.37Å; W166-E474 HydrophobicContact CZ3-CB 4.41Å; W166-E474 WeakPolarHBondContact CZ3-O 3.33Å; E474-Y507 VanDerWaalsContact O-CA 3.24Å; E474-Y507 WeakPolarHBondContact O-CA 3.42Å; E474-R508 HydrophobicContact CB-CG 4.04Å; E474-R508 PolarHBondContact N-O 2.8Å; E474-R508 PolarHBondContact O-N 2.65Å; E474-R508 IonicContact OE1-NH2 3.8Å; E474-R508 IonicContact OE2-CZ 3.12Å; E474-R508 IonicContact OE2-NE 3.08Å; E474-R508 PolarHBondContact OE2-NE 2.74Å; E474-R508 IonicContact OE2-NH2 2.67Å; E474-R508 PolarHBondContact OE2-NH2 2.85Å; E474-K510 HydrophobicContact CG-CG 3.8Å
475	I	96.8	Very high	96.3	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.9	-174	64.7	-176	0	0	0	111	L306 I310 M316 I469 F473 F505 R506	L306-I475 HydrophobicContact CD1-CD1 3.91Å; I310-I475 HydrophobicContact CD1-CD1 3.94Å; I310-I475 HydrophobicContact CD1-CG1 4.37Å; I310-I475 HydrophobicContact CG1-CD1 3.59Å; I310-I475 HydrophobicContact CG1-CG1 4.04Å; M316-I475 HydrophobicContact CE-CD1 3.84Å; M316-I475 HydrophobicContact CE-CG1 3.99Å; I469-I475 HydrophobicContact CG2-CD1 3.49Å; I469-I475 VanDerWaalsContact CG2-CD1 3.49Å; I469-I475 HydrophobicContact CG2-CG2 4.17Å; F473-I475 HydrophobicContact CB-CG2 3.82Å; I475-F505 HydrophobicContact CG2-CE2 4.41Å; I475-R506 WeakPolarHBondContact CA-O 3.45Å
476	E	96.5	Very high	96.2	Very high	77 Å²	77	43.3 Å²	43.3	36%	0.36	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.3	-179.9	-56.2	176.1	-162.3	0	0	110.3	W166 F505 R506	W166-E476 HydrophobicContact CH2-CG 3.79Å; W166-E476 WeakPolarHBondContact CH2-OE1 3.28Å; W166-E476 HydrophobicContact CZ2-CG 4.49Å; W166-E476 VanDerWaalsContact CZ2-OE1 3.27Å; W166-E476 WeakPolarHBondContact CZ2-OE1 3.38Å; W166-E476 HydrophobicContact CZ3-CG 4.32Å; E476-F505 CarbonylContact O-C 3.56Å; E476-F505 WeakPolarHBondContact O-CA 3.3Å; E476-F505 WeakPolarHBondContact O-CB 3.44Å; E476-R506 HydrophobicContact CB-CG 4.09Å; E476-R506 PolarHBondContact N-O 3Å; E476-R506 PolarHBondContact O-N 3.29Å; E476-R506 IonicContact OE2-CZ 3.28Å; E476-R506 VanDerWaalsContact OE2-CZ 3.28Å; E476-R506 IonicContact OE2-NE 2.71Å; E476-R506 PolarHBondContact OE2-NE 3.36Å; E476-R506 VanDerWaalsContact OE2-NE 3.08Å; E476-R506 IonicContact OE2-NH2 2.66Å; E476-R506 PolarHBondContact OE2-NH2 2.99Å
477	L	97.8	Very high	96.2	Very high	18 Å²	18	45 Å²	45	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.4	164.6	-65.5	170.1	0	0	0	108.8	F307 I310 K311 D479 V482 V503 F505	F307-L477 HydrophobicContact CD2-CD2 4.46Å; F307-L477 HydrophobicContact CE2-CD2 4.49Å; I310-L477 HydrophobicContact CB-CG 4.44Å; I310-L477 HydrophobicContact CG2-CD1 4.31Å; I310-L477 HydrophobicContact CG2-CD2 4.39Å; I310-L477 HydrophobicContact CG2-CG 3.73Å; K311-L477 HydrophobicContact CB-CD1 4.47Å; K311-L477 HydrophobicContact CD-CD1 3.74Å; L477-D479 VanDerWaalsContact C-N 3.31Å; L477-D479 PolarHBondContact O-N 2.62Å; L477-V482 HydrophobicContact CD1-CG1 3.8Å; L477-V482 HydrophobicContact CG-CG1 4.5Å; L477-V503 HydrophobicContact CD2-CG1 3.81Å; L477-F505 HydrophobicContact CD2-CB 4.29Å
478	V	97.1	Very high	96	Very high	82 Å²	82	47.1 Å²	47.1	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-63.6	-42.8	177.9	173.8	0	0	0	0	110.5	T168 D504 R506	T168-V478 HydrophobicContact CG2-CG2 3.74Å; V478-D504 HydrophobicContact CB-CB 4.12Å; V478-D504 HydrophobicContact CG2-CB 3.89Å; V478-D504 PolarHBondContact N-O 3.33Å; V478-D504 VanDerWaalsContact N-O 3.08Å; V478-R506 HydrophobicContact CG2-CB 4.47Å
479	D	95.7	Very high	95.8	Very high	82 Å²	82	49 Å²	49	44%	0.439	27%	0.272	S	S	.	.	S	Bend	trans	-105.7	108.2	167.6	175.2	14.1	0	0	0	109.5	L477 N481 V482	L477-D479 VanDerWaalsContact C-N 3.31Å; L477-D479 PolarHBondContact O-N 2.62Å; D479-N481 PolarHBondContact O-N 3.16Å; D479-N481 WeakPolarHBondContact OD1-CA 3.23Å; D479-N481 WeakPolarHBondContact OD1-CB 3.34Å; D479-N481 PolarHBondContact OD1-N 3.15Å; D479-V482 HydrophobicContact CB-CB 4.13Å; D479-V482 WeakPolarHBondContact O-CB 3.43Å; D479-V482 WeakPolarHBondContact O-CG1 3.31Å; D479-V482 PolarHBondContact O-N 3.15Å; D479-V482 VanDerWaalsContact O-N 3.12Å; D479-V482 PolarHBondContact OD1-N 3.12Å; D479-V482 PolarHBondContact OD2-N 2.79Å
480	S	91.6	Very high	95.6	Very high	85 Å²	85	52.5 Å²	52.5	59%	0.594	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.6	177.8	58.6	0	0	0	0	113	K311	K311-S480 PolarHBondContact NZ-O 2.99Å
481	N	93	Very high	95.4	Very high	120 Å²	120	52.6 Å²	52.6	64%	0.642	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	4.5	178.5	-64.6	-48.2	0	0	0	113.4	D479 Q483	D479-N481 PolarHBondContact O-N 3.16Å; D479-N481 WeakPolarHBondContact OD1-CA 3.23Å; D479-N481 WeakPolarHBondContact OD1-CB 3.34Å; D479-N481 PolarHBondContact OD1-N 3.15Å; N481-Q483 PolarHBondContact O-N 3.07Å; N481-Q483 PolarHBondContact O-NE2 2.79Å
482	V	95.2	Very high	95.4	Very high	29 Å²	29	53.4 Å²	53.4	18%	0.176	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-53	131.6	179.7	70.4	0	0	0	0	110.4	F307 K311 L477 D479 V503	F307-V482 HydrophobicContact CE2-CG1 4.44Å; K311-V482 WeakPolarHBondContact CE-O 3.4Å; K311-V482 PolarHBondContact NZ-O 2.89Å; L477-V482 HydrophobicContact CD1-CG1 3.8Å; L477-V482 HydrophobicContact CG-CG1 4.5Å; D479-V482 HydrophobicContact CB-CB 4.13Å; D479-V482 WeakPolarHBondContact O-CB 3.43Å; D479-V482 WeakPolarHBondContact O-CG1 3.31Å; D479-V482 PolarHBondContact O-N 3.15Å; D479-V482 VanDerWaalsContact O-N 3.12Å; D479-V482 PolarHBondContact OD1-N 3.12Å; D479-V482 PolarHBondContact OD2-N 2.79Å; V482-V503 HydrophobicContact CB-CG1 4.48Å; V482-V503 HydrophobicContact CG1-CG1 3.86Å; V482-V503 HydrophobicContact CG2-CG1 4.03Å; V482-V503 HydrophobicContact CG2-CG2 4.38Å
483	Q	94.5	Very high	95.4	Very high	156 Å²	156	54 Å²	54	73%	0.729	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-71.8	151.2	177.7	-63.5	-58.7	-53	0	0	110.1	N481 P485	N481-Q483 PolarHBondContact O-N 3.07Å; N481-Q483 PolarHBondContact O-NE2 2.79Å; Q483-P485 WeakPolarHBondContact O-CD 3.49Å
484	C	96.2	Very high	95.4	Very high	60 Å²	60	55.3 Å²	55.3	41%	0.405	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-58.9	123.9	172.5	-172.5	0	0	0	0	109.2	F307 Y308	F307-C484 HydrophobicContact CE1-CB 4.09Å; F307-C484 HydrophobicContact CZ-CB 4.35Å; Y308-C484 PolarHBondContact OH-SG 3.42Å
485	P	96.7	Very high	95.6	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.058	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-61.6	149.4	177.7	22.7	-28.8	0	0	0	110	F303 W304 Q483 P499 V503	F303-P485 HydrophobicContact CE1-CG 4.39Å; F303-P485 HydrophobicContact CZ-CG 4.04Å; W304-P485 HydrophobicContact CH2-CG 3.81Å; W304-P485 WeakPolarHBondContact CH2-O 3.4Å; W304-P485 HydrophobicContact CZ3-CG 4.07Å; Q483-P485 WeakPolarHBondContact O-CD 3.49Å; P485-P499 HydrophobicContact CB-CB 3.94Å; P485-P499 HydrophobicContact CG-CB 3.86Å; P485-V503 HydrophobicContact CB-CG2 4.49Å; P485-V503 HydrophobicContact CG-CG2 3.93Å
486	S	96.8	Very high	95.6	Very high	81 Å²	81	51.8 Å²	51.8	57%	0.566	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-70.2	157	177.2	-67.7	0	0	0	0	110.9	P499 T500	S486-P499 CarbonylContact O-C 3.56Å; S486-P499 WeakPolarHBondContact O-CA 3.49Å; S486-T500 PolarHBondContact N-OG1 2.86Å; S486-T500 WeakPolarHBondContact O-CG2 3.47Å; S486-T500 PolarHBondContact O-N 2.82Å; S486-T500 PolarHBondContact O-OG1 3.35Å
487	L	97.3	Very high	95.7	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.178	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-79.5	130.4	174	-53.5	176.6	0	0	0	109.8	W304 L364 Q489 L497	W304-L487 HydrophobicContact CH2-CD2 3.85Å; W304-L487 HydrophobicContact CZ2-CD2 3.36Å; L364-L487 WeakPolarHBondContact O-CD1 3.17Å; L487-Q489 PolarHBondContact O-N 3.23Å; L487-L497 HydrophobicContact CB-CB 3.95Å; L487-L497 HydrophobicContact CB-CD1 3.58Å; L487-L497 HydrophobicContact CB-CG 4.42Å; L487-L497 HydrophobicContact CD1-CD1 4.01Å; L487-L497 HydrophobicContact CD2-CB 4.36Å; L487-L497 HydrophobicContact CG-CD1 4.36Å
488	D	96.2	Very high	95.8	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	29%	0.287	C	S	.	.			trans	-71.2	91	174.7	177.9	12.7	0	0	0	111.1	S490 R491 L497 Q498 T500	D488-S490 PolarHBondContact O-N 2.94Å; D488-S490 VanDerWaalsContact O-N 3.16Å; D488-S490 WeakPolarHBondContact OD1-CB 3.31Å; D488-S490 PolarHBondContact OD1-N 3.38Å; D488-S490 PolarHBondContact OD1-OG 2.7Å; D488-S490 PolarHBondContact OD2-OG 2.96Å; D488-S490 VanDerWaalsContact OD2-OG 3.08Å; D488-R491 PolarHBondContact O-N 3.06Å; D488-L497 WeakPolarHBondContact O-CD2 3.34Å; D488-Q498 WeakPolarHBondContact CB-O 3.48Å; D488-Q498 PolarHBondContact N-O 2.84Å; D488-T500 HydrophobicContact CB-CG2 4.33Å
489	Q	94	Very high	95.8	Very high	43 Å²	43	45.5 Å²	45.5	20%	0.201	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.4	-13.2	-179.2	-67.5	-66.3	-22.4	0	0	113.9	L487 R491 A492	L487-Q489 PolarHBondContact O-N 3.23Å; Q489-R491 PolarHBondContact O-N 3.28Å; Q489-R491 VanDerWaalsContact O-N 3.08Å; Q489-A492 WeakPolarHBondContact O-CB 3.41Å; Q489-A492 PolarHBondContact O-N 3.07Å; Q489-A492 VanDerWaalsContact O-N 3.1Å
490	S	91.9	Very high	95.9	Very high	73 Å²	73	45.2 Å²	45.2	51%	0.51	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62	-18.3	174.3	77.6	0	0	0	0	112.5	P225 D488	P225-S490 VanDerWaalsContact CB-O 3.3Å; P225-S490 WeakPolarHBondContact CB-O 3.2Å; P225-S490 WeakPolarHBondContact CG-O 3.28Å; D488-S490 PolarHBondContact O-N 2.94Å; D488-S490 VanDerWaalsContact O-N 3.16Å; D488-S490 WeakPolarHBondContact OD1-CB 3.31Å; D488-S490 PolarHBondContact OD1-N 3.38Å; D488-S490 PolarHBondContact OD1-OG 2.7Å; D488-S490 PolarHBondContact OD2-OG 2.96Å; D488-S490 VanDerWaalsContact OD2-OG 3.08Å
491	R	95.1	Very high	96.1	Very high	11 Å²	11	45.3 Å²	45.3	4%	0.042	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-100.7	9.5	180	-51.5	-168.9	66.8	83.4	1.7	114.1	D221 P225 D488 Q489 G493 L494 L497	D221-R491 PolarHBondContact O-NH1 3.01Å; D221-R491 PolarHBondContact O-NH2 2.63Å; D221-R491 IonicContact OD1-CZ 3.9Å; D221-R491 IonicContact OD1-NH2 2.81Å; D221-R491 PolarHBondContact OD1-NH2 3.41Å; D221-R491 IonicContact OD2-CZ 3.03Å; D221-R491 IonicContact OD2-NH1 3.57Å; D221-R491 IonicContact OD2-NH2 3.71Å; D221-R491 PolarHBondContact OD2-NH2 3.1Å; P225-R491 HydrophobicContact CG-CG 4.15Å; D488-R491 PolarHBondContact O-N 3.06Å; Q489-R491 PolarHBondContact O-N 3.28Å; Q489-R491 VanDerWaalsContact O-N 3.08Å; R491-G493 PolarHBondContact O-N 3.49Å; R491-L494 HydrophobicContact CB-CD1 4.31Å; R491-L494 VanDerWaalsContact O-CB 3.26Å; R491-L494 WeakPolarHBondContact O-CB 3.34Å; R491-L494 WeakPolarHBondContact O-CG 3.47Å; R491-L494 PolarHBondContact O-N 3.31Å; R491-L497 HydrophobicContact CB-CD2 4.03Å
492	A	95.3	Very high	96.4	Very high	22 Å²	22	42.4 Å²	42.4	18%	0.182	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	137.5	179.6	0	0	0	0	0	112.4	P52 A367 Q489 L494	P52-A492 HydrophobicContact CB-CB 4.15Å; P52-A492 HydrophobicContact CG-CB 3.4Å; A367-A492 HydrophobicContact CB-CB 4.44Å; Q489-A492 WeakPolarHBondContact O-CB 3.41Å; Q489-A492 PolarHBondContact O-N 3.07Å; Q489-A492 VanDerWaalsContact O-N 3.1Å; A492-L494 VanDerWaalsContact C-N 3.32Å
493	G	95	Very high	96.5	Very high	16 Å²	16	41.4 Å²	41.4	17%	0.165	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	89.7	-16	-173.5	0	0	0	0	0	114.6	A367 M369 R491	A367-G493 WeakPolarHBondContact O-CA 3.42Å; A367-G493 PolarHBondContact O-N 3.44Å; M369-G493 PolarHBondContact N-O 3.3Å; R491-G493 PolarHBondContact O-N 3.49Å
494	L	96.4	Very high	96.6	Very high	33 Å²	33	38.5 Å²	38.5	17%	0.173	23%	0.231	C	C	.	.	S	Bend	trans	-90.1	-10.4	-176.6	-55.4	-178.2	0	0	0	114.5	F224 P225 V228 R491 A492	F224-L494 HydrophobicContact CD1-CD1 3.87Å; F224-L494 HydrophobicContact CD1-CD2 4.03Å; F224-L494 HydrophobicContact CE1-CD2 4.11Å; P225-L494 HydrophobicContact CB-CD1 4.18Å; P225-L494 HydrophobicContact CG-CD1 3.69Å; V228-L494 HydrophobicContact CB-CD2 4.49Å; V228-L494 HydrophobicContact CG1-CD2 4.5Å; V228-L494 HydrophobicContact CG2-CD2 3.95Å; R491-L494 HydrophobicContact CB-CD1 4.31Å; R491-L494 VanDerWaalsContact O-CB 3.26Å; R491-L494 WeakPolarHBondContact O-CB 3.34Å; R491-L494 WeakPolarHBondContact O-CG 3.47Å; R491-L494 PolarHBondContact O-N 3.31Å; A492-L494 VanDerWaalsContact C-N 3.32Å
495	G	97.8	Very high	96.7	Very high	4 Å²	4	35.7 Å²	35.7	4%	0.041	21%	0.211	C	C	.	.	S	Bend	trans	132.9	-120.9	175.4	0	0	0	0	0	113.1	N297 A367 S368	N297-G495 VanDerWaalsContact OD1-CA 3.27Å; N297-G495 WeakPolarHBondContact OD1-CA 3.48Å; A367-G495 CarbonylContact C-O 3.56Å; A367-G495 PolarHBondContact N-O 3.18Å; S368-G495 PolarHBondContact N-O 3.22Å; S368-G495 WeakPolarHBondContact OG-CA 3.38Å
496	I	98.8	Very high	96.7	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.041	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-82.1	124.3	178.4	-53.2	-56.3	0	0	0	109.5	N297 P300 A301 M362 S365 P444	N297-I496 HydrophobicContact CB-CG1 4.28Å; N297-I496 PolarHBondContact OD1-N 2.83Å; P300-I496 HydrophobicContact CB-CB 4.47Å; P300-I496 HydrophobicContact CB-CG2 3.93Å; P300-I496 HydrophobicContact CG-CB 4.02Å; P300-I496 HydrophobicContact CG-CG2 4.01Å; A301-I496 HydrophobicContact CB-CG1 4.38Å; A301-I496 HydrophobicContact CB-CG2 4.44Å; M362-I496 HydrophobicContact CB-CD1 4.36Å; M362-I496 HydrophobicContact CE-CD1 3.65Å; M362-I496 HydrophobicContact CE-CG1 4.03Å; M362-I496 HydrophobicContact CG-CD1 4.34Å; S365-I496 WeakPolarHBondContact OG-CG2 3.27Å; P444-I496 HydrophobicContact CB-CD1 4.13Å
497	L	98.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-72.8	138.7	-178.6	-62.4	-174	0	0	0	110.6	W304 S365 A367 L487 D488 R491	W304-L497 PolarHBondContact NE1-O 2.8Å; S365-L497 WeakPolarHBondContact O-CB 3.35Å; S365-L497 PolarHBondContact O-N 2.92Å; A367-L497 HydrophobicContact CB-CD1 3.67Å; A367-L497 HydrophobicContact CB-CD2 3.69Å; A367-L497 HydrophobicContact CB-CG 3.61Å; L487-L497 HydrophobicContact CB-CB 3.95Å; L487-L497 HydrophobicContact CB-CD1 3.58Å; L487-L497 HydrophobicContact CB-CG 4.42Å; L487-L497 HydrophobicContact CD1-CD1 4.01Å; L487-L497 HydrophobicContact CD2-CB 4.36Å; L487-L497 HydrophobicContact CG-CD1 4.36Å; D488-L497 WeakPolarHBondContact O-CD2 3.34Å; R491-L497 HydrophobicContact CB-CD2 4.03Å
498	Q	98.3	Very high	96.4	Very high	31 Å²	31	36.8 Å²	36.8	15%	0.145	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-76.5	155.7	173.5	-59.5	-177.9	12.7	0	0	109.5	Y172 D221 P300 D488	Y172-Q498 VanDerWaalsContact OH-CG 3.26Å; Y172-Q498 WeakPolarHBondContact OH-CG 3.22Å; Y172-Q498 PolarHBondContact OH-OE1 2.74Å; D221-Q498 PolarHBondContact OD2-NE2 3.25Å; P300-Q498 HydrophobicContact CB-CG 4.26Å; P300-Q498 HydrophobicContact CG-CG 4.45Å; D488-Q498 WeakPolarHBondContact CB-O 3.48Å; D488-Q498 PolarHBondContact N-O 2.84Å
499	P	98.2	Very high	96.2	Very high	13 Å²	13	35 Å²	35	8%	0.084	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-68.7	145.1	169.5	32	-36.8	0	0	0	110.7	Y172 F303 W304 P485 S486 N501	Y172-P499 HydrophobicContact CD2-CG 3.76Å; Y172-P499 HydrophobicContact CE2-CG 4.3Å; Y172-P499 HydrophobicContact CG-CG 3.9Å; F303-P499 HydrophobicContact CD1-CB 4.4Å; F303-P499 HydrophobicContact CD1-CG 3.91Å; F303-P499 HydrophobicContact CE1-CB 3.59Å; F303-P499 HydrophobicContact CE1-CG 3.51Å; F303-P499 HydrophobicContact CE2-CG 4.27Å; F303-P499 HydrophobicContact CG-CG 4.47Å; F303-P499 HydrophobicContact CZ-CB 3.81Å; F303-P499 HydrophobicContact CZ-CG 3.7Å; W304-P499 HydrophobicContact CH2-CB 4.21Å; W304-P499 HydrophobicContact CZ2-CB 3.97Å; P485-P499 HydrophobicContact CB-CB 3.94Å; P485-P499 HydrophobicContact CG-CB 3.86Å; S486-P499 CarbonylContact O-C 3.56Å; S486-P499 WeakPolarHBondContact O-CA 3.49Å; P499-N501 WeakPolarHBondContact CB-O 3.49Å; P499-N501 PolarHBondContact O-N 3.2Å
500	T	97	Very high	96	Very high	77 Å²	77	35.7 Å²	35.7	47%	0.472	19%	0.192	S	C	.	.	S	Bend	trans	-66	-24.2	177.3	48.1	0	0	0	0	113.6	S486 D488	S486-T500 PolarHBondContact N-OG1 2.86Å; S486-T500 WeakPolarHBondContact O-CG2 3.47Å; S486-T500 PolarHBondContact O-N 2.82Å; S486-T500 PolarHBondContact O-OG1 3.35Å; D488-T500 HydrophobicContact CB-CG2 4.33Å
501	N	96.8	Very high	95.4	Very high	87 Å²	87	38.8 Å²	38.8	47%	0.465	20%	0.197	S	C	.	.	S	Bend	trans	-148.4	150.9	177.6	59.4	-83.9	0	0	0	108.9	P499	P499-N501 WeakPolarHBondContact CB-O 3.49Å; P499-N501 PolarHBondContact O-N 3.2Å
502	D	97.9	Very high	94.5	Very high	59 Å²	59	43.6 Å²	43.6	32%	0.316	22%	0.223	S	C	.	.			trans	-70.8	164	173.1	-150.3	-16.3	0	0	0	110.9	G170 L171 Y172 A173	G170-D502 VanDerWaalsContact CA-OD2 3.3Å; G170-D502 WeakPolarHBondContact CA-OD2 3.28Å; L171-D502 PolarHBondContact N-OD1 3.43Å; Y172-D502 VanDerWaalsContact CB-OD1 3.26Å; Y172-D502 WeakPolarHBondContact CB-OD1 3.48Å; Y172-D502 PolarHBondContact N-OD1 3.04Å; Y172-D502 PolarHBondContact N-OD2 3.33Å; A173-D502 WeakPolarHBondContact CB-OD2 3.15Å; A173-D502 PolarHBondContact N-OD2 3.31Å
503	V	97.6	Very high	94.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	23%	0.225	C	C	.	.			trans	-126.2	126.2	175.7	175.5	0	0	0	0	108.3	L171 F307 L477 V482 P485 F505	L171-V503 WeakPolarHBondContact CB-O 3.49Å; L171-V503 PolarHBondContact N-O 3.07Å; F307-V503 HydrophobicContact CE2-CG1 4.25Å; F307-V503 HydrophobicContact CE2-CG2 4.16Å; L477-V503 HydrophobicContact CD2-CG1 3.81Å; V482-V503 HydrophobicContact CB-CG1 4.48Å; V482-V503 HydrophobicContact CG1-CG1 3.86Å; V482-V503 HydrophobicContact CG2-CG1 4.03Å; V482-V503 HydrophobicContact CG2-CG2 4.38Å; P485-V503 HydrophobicContact CB-CG2 4.49Å; P485-V503 HydrophobicContact CG-CG2 3.93Å; V503-F505 PolarHBondContact O-N 2.99Å
504	D	98	Very high	94.5	Very high	96 Å²	96	46.2 Å²	46.2	51%	0.513	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.6	178.4	-68	-25.9	0	0	0	111.1	T168 V478	T168-D504 HydrophobicContact CG2-CB 4.49Å; V478-D504 HydrophobicContact CB-CB 4.12Å; V478-D504 HydrophobicContact CG2-CB 3.89Å; V478-D504 PolarHBondContact N-O 3.33Å; V478-D504 VanDerWaalsContact N-O 3.08Å
505	F	98	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162.3	170.3	90.3	-59.1	0	0	0	109.1	T168 E169 L171 F174 I310 I475 E476 L477 V503 Y507	T168-F505 WeakPolarHBondContact CA-O 3.23Å; E169-F505 HydrophobicContact CB-CE1 4.35Å; E169-F505 PolarHBondContact N-O 3.38Å; E169-F505 VanDerWaalsContact O-CD1 3.27Å; E169-F505 WeakPolarHBondContact O-CD1 3.42Å; E169-F505 PolarHBondContact O-N 3.07Å; L171-F505 HydrophobicContact CB-CB 4.48Å; L171-F505 HydrophobicContact CB-CD1 3.86Å; L171-F505 HydrophobicContact CB-CE1 4.45Å; L171-F505 HydrophobicContact CB-CG 4.3Å; L171-F505 HydrophobicContact CD1-CD1 3.8Å; L171-F505 HydrophobicContact CD1-CD2 3.99Å; L171-F505 HydrophobicContact CD1-CE1 3.95Å; L171-F505 HydrophobicContact CD1-CE2 4.09Å; L171-F505 HydrophobicContact CD1-CG 3.84Å; L171-F505 HydrophobicContact CD1-CZ 4.08Å; L171-F505 HydrophobicContact CG-CD1 4.46Å; F174-F505 HydrophobicContact CB-CE1 3.68Å; F174-F505 HydrophobicContact CB-CZ 4Å; F174-F505 HydrophobicContact CD1-CE1 4.35Å; F174-F505 AromaticContact CD1-CZ 3.83Å; F174-F505 HydrophobicContact CD1-CZ 3.83Å; F174-F505 HydrophobicContact CD2-CE1 4.2Å; F174-F505 AromaticContact CD2-CZ 3.83Å; F174-F505 HydrophobicContact CD2-CZ 3.83Å; F174-F505 HydrophobicContact CE1-CZ 4.26Å; F174-F505 HydrophobicContact CE2-CZ 4.27Å; F174-F505 AromaticContact CG-CE1 3.84Å; F174-F505 HydrophobicContact CG-CE1 3.84Å; F174-F505 AromaticContact CG-CZ 3.62Å; F174-F505 HydrophobicContact CG-CZ 3.62Å; F174-F505 HydrophobicContact CZ-CZ 4.48Å; I310-F505 HydrophobicContact CD1-CD2 4.29Å; I475-F505 HydrophobicContact CG2-CE2 4.41Å; E476-F505 CarbonylContact O-C 3.56Å; E476-F505 WeakPolarHBondContact O-CA 3.3Å; E476-F505 WeakPolarHBondContact O-CB 3.44Å; L477-F505 HydrophobicContact CD2-CB 4.29Å; V503-F505 PolarHBondContact O-N 2.99Å; F505-Y507 AromaticContact CE1-CD1 3.89Å; F505-Y507 HydrophobicContact CE1-CD1 3.89Å; F505-Y507 HydrophobicContact CE1-CE1 4.22Å; F505-Y507 AromaticContact CE2-CD1 3.7Å; F505-Y507 HydrophobicContact CE2-CD1 3.7Å; F505-Y507 HydrophobicContact CE2-CG 4.09Å; F505-Y507 AromaticContact CZ-CD1 3.32Å; F505-Y507 HydrophobicContact CZ-CD1 3.32Å; F505-Y507 AromaticContact CZ-CE1 3.9Å; F505-Y507 HydrophobicContact CZ-CE1 3.9Å; F505-Y507 HydrophobicContact CZ-CG 4.07Å
506	R	96.3	Very high	94.2	Very high	91 Å²	91	49.5 Å²	49.5	34%	0.343	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.6	172.5	61.5	176.9	-175.7	-172.3	2.6	110.4	W166 V167 I475 E476 V478	W166-R506 HydrophobicContact CD2-CB 4.46Å; W166-R506 HydrophobicContact CD2-CG 4.12Å; W166-R506 HydrophobicContact CE3-CB 3.73Å; W166-R506 HydrophobicContact CE3-CG 3.5Å; W166-R506 HydrophobicContact CZ3-CB 4.34Å; W166-R506 HydrophobicContact CZ3-CG 3.8Å; W166-R506 WeakPolarHBondContact CZ3-O 3.48Å; V167-R506 CarbonylContact O-C 3.6Å; V167-R506 WeakPolarHBondContact O-CA 3.43Å; I475-R506 WeakPolarHBondContact CA-O 3.45Å; E476-R506 HydrophobicContact CB-CG 4.09Å; E476-R506 PolarHBondContact N-O 3Å; E476-R506 PolarHBondContact O-N 3.29Å; E476-R506 IonicContact OE2-CZ 3.28Å; E476-R506 VanDerWaalsContact OE2-CZ 3.28Å; E476-R506 IonicContact OE2-NE 2.71Å; E476-R506 PolarHBondContact OE2-NE 3.36Å; E476-R506 VanDerWaalsContact OE2-NE 3.08Å; E476-R506 IonicContact OE2-NH2 2.66Å; E476-R506 PolarHBondContact OE2-NH2 2.99Å; V478-R506 HydrophobicContact CG2-CB 4.47Å
507	Y	95.6	Very high	93.9	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.2	177.7	65.3	-83.1	0	0	0	111.4	R157 L161 W166 V167 E169 F174 F473 E474 F505	R157-Y507 PolarHBondContact NH1-OH 3.01Å; L161-Y507 HydrophobicContact CD2-CD2 4.48Å; L161-Y507 HydrophobicContact CD2-CE2 3.84Å; W166-Y507 VanDerWaalsContact CE3-C 3.49Å; V167-Y507 HydrophobicContact CB-CD1 4.48Å; V167-Y507 HydrophobicContact CB-CE1 4.07Å; V167-Y507 HydrophobicContact CB-CE2 4.31Å; V167-Y507 HydrophobicContact CG1-CE1 3.96Å; V167-Y507 PolarHBondContact N-O 3.34Å; V167-Y507 PolarHBondContact O-N 3.11Å; E169-Y507 HydrophobicContact CB-CE1 4.19Å; E169-Y507 PolarHBondContact OE2-OH 3.18Å; F174-Y507 HydrophobicContact CD2-CD1 4.43Å; F174-Y507 AromaticContact CD2-CE1 3.8Å; F174-Y507 HydrophobicContact CD2-CE1 3.8Å; F174-Y507 AromaticContact CD2-CZ 3.95Å; F174-Y507 HydrophobicContact CE2-CD1 4.41Å; F174-Y507 AromaticContact CE2-CE1 3.93Å; F174-Y507 HydrophobicContact CE2-CE1 3.93Å; F174-Y507 HydrophobicContact CE2-CE2 4.04Å; F174-Y507 AromaticContact CE2-CZ 3.73Å; F473-Y507 AromaticContact CD1-CD2 3.73Å; F473-Y507 HydrophobicContact CD1-CD2 3.73Å; F473-Y507 AromaticContact CE1-CD2 3.85Å; F473-Y507 HydrophobicContact CE1-CD2 3.85Å; F473-Y507 HydrophobicContact CE1-CE2 4.22Å; E474-Y507 VanDerWaalsContact O-CA 3.24Å; E474-Y507 WeakPolarHBondContact O-CA 3.42Å; F505-Y507 AromaticContact CE1-CD1 3.89Å; F505-Y507 HydrophobicContact CE1-CD1 3.89Å; F505-Y507 HydrophobicContact CE1-CE1 4.22Å; F505-Y507 AromaticContact CE2-CD1 3.7Å; F505-Y507 HydrophobicContact CE2-CD1 3.7Å; F505-Y507 HydrophobicContact CE2-CG 4.09Å; F505-Y507 AromaticContact CZ-CD1 3.32Å; F505-Y507 HydrophobicContact CZ-CD1 3.32Å; F505-Y507 AromaticContact CZ-CE1 3.9Å; F505-Y507 HydrophobicContact CZ-CE1 3.9Å; F505-Y507 HydrophobicContact CZ-CG 4.07Å
508	R	92.6	Very high	93.6	Very high	52 Å²	52	55.5 Å²	55.5	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.1	171.2	65.9	179.7	-179	171	1.8	110.3	P163 I165 W166 F473 E474	P163-R508 WeakPolarHBondContact O-CD 3.37Å; I165-R508 WeakPolarHBondContact O-CB 3.36Å; W166-R508 HydrophobicContact CD2-CB 4.21Å; W166-R508 HydrophobicContact CD2-CG 3.94Å; W166-R508 VanDerWaalsContact CE2-CD 3.45Å; W166-R508 HydrophobicContact CE3-CB 4.12Å; W166-R508 HydrophobicContact CE3-CG 3.96Å; W166-R508 HydrophobicContact CH2-CG 4.07Å; W166-R508 HydrophobicContact CZ2-CG 4.02Å; W166-R508 HydrophobicContact CZ3-CG 4.04Å; F473-R508 CarbonylContact C-O 3.6Å; F473-R508 VanDerWaalsContact CA-O 3.23Å; F473-R508 WeakPolarHBondContact CA-O 3.5Å; E474-R508 HydrophobicContact CB-CG 4.04Å; E474-R508 PolarHBondContact N-O 2.8Å; E474-R508 PolarHBondContact O-N 2.65Å; E474-R508 IonicContact OE1-NH2 3.8Å; E474-R508 IonicContact OE2-CZ 3.12Å; E474-R508 IonicContact OE2-NE 3.08Å; E474-R508 PolarHBondContact OE2-NE 2.74Å; E474-R508 IonicContact OE2-NH2 2.67Å; E474-R508 PolarHBondContact OE2-NH2 2.85Å
509	L	91.8	Very high	93.2	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.5	173.6	-70.3	172.7	0	0	0	110.2	L154 L161 P163 L336 Y472 F473	L154-L509 HydrophobicContact CD2-CD2 4.07Å; L161-L509 HydrophobicContact CB-CD1 3.7Å; L161-L509 HydrophobicContact CB-CG 4.14Å; P163-L509 WeakPolarHBondContact CA-O 3.45Å; P163-L509 HydrophobicContact CG-CB 4.35Å; L336-L509 HydrophobicContact CD1-CD1 3.99Å; L336-L509 HydrophobicContact CD2-CD1 4.2Å; L336-L509 HydrophobicContact CD2-CD2 4.31Å; Y472-L509 CarbonylContact O-C 3.6Å; Y472-L509 WeakPolarHBondContact O-CA 3.45Å; F473-L509 HydrophobicContact CD1-CD2 4.11Å; F473-L509 HydrophobicContact CE1-CD2 3.63Å; F473-L509 HydrophobicContact CE1-CG 4.31Å; F473-L509 HydrophobicContact CZ-CD2 3.9Å
510	K	90	Very high	92.8	Very high	57 Å²	57	60.7 Å²	60.7	25%	0.248	30%	0.296	C	S	.	.			trans	-65.2	157.8	168.3	-72.7	179.8	179.4	-175.4	0	110.3	L470 Y472 F473 E474 L512	L470-K510 PolarHBondContact O-NZ 2.7Å; Y472-K510 PolarHBondContact O-N 3.21Å; F473-K510 WeakPolarHBondContact O-CE 3.25Å; E474-K510 HydrophobicContact CG-CG 3.8Å; K510-L512 HydrophobicContact CB-CD2 3.82Å; K510-L512 HydrophobicContact CB-CG 3.94Å; K510-L512 HydrophobicContact CD-CD2 4.5Å; K510-L512 PolarHBondContact O-N 3.27Å
511	F	79.7	Confident	92.5	Very high	139 Å²	139	59.3 Å²	59.3	61%	0.61	28%	0.281	S	S	*	.			trans	-75.3	106.3	160.1	-65.1	-84.6	0	0	0	107.6	P163 N164	P163-F511 HydrophobicContact CB-CD1 4.12Å; P163-F511 HydrophobicContact CB-CE1 4.12Å; N164-F511 WeakPolarHBondContact OD1-CZ 3.42Å
512	L	75.7	Confident	92.1	Very high	112 Å²	112	56.8 Å²	56.8	59%	0.586	27%	0.265	S	S	*	.			trans	-107.9	0	-174.4	-64.6	171.1	0	0	0	111.3	I334 Y472 K510	I334-L512 HydrophobicContact CB-CD2 4.38Å; I334-L512 HydrophobicContact CG2-CD1 3.81Å; I334-L512 HydrophobicContact CG2-CD2 3.63Å; I334-L512 HydrophobicContact CG2-CG 4.27Å; Y472-L512 HydrophobicContact CD1-CD1 3.46Å; Y472-L512 VanDerWaalsContact CD1-CD1 3.46Å; Y472-L512 HydrophobicContact CE1-CD1 3.94Å; Y472-L512 HydrophobicContact CG-CD1 4.47Å; K510-L512 HydrophobicContact CB-CD2 3.82Å; K510-L512 HydrophobicContact CB-CG 3.94Å; K510-L512 HydrophobicContact CD-CD2 4.5Å; K510-L512 PolarHBondContact O-N 3.27Å

Retrieved 512 of 512 residues in 4506.7 ms (Link to these results)

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